 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer05_wB97XD-def2SVPDr.in
 Output=12_L-valine_conformer05_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/Gau-160792.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    160802.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=12_L-valine_conformer05_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:47:54 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer05_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.066458000000     -1.742250000000      0.058829000000
  C                                                 1.144781000000     -0.237615000000      0.319196000000
  C                                                 0.017403000000      0.519585000000     -0.407509000000
  C                                                -1.339934000000     -0.122015000000     -0.159849000000
  O                                                -1.699602000000     -0.061835000000      1.148390000000
  C                                                 2.507306000000      0.318287000000     -0.090613000000
  N                                                 0.026381000000      1.937057000000     -0.047760000000
  O                                                -2.052705000000     -0.609463000000     -0.998100000000
  H                                                 0.182303000000      0.443607000000     -1.483828000000
  H                                                 1.004355000000     -0.066187000000      1.392046000000
  H                                                -2.578745000000     -0.464892000000      1.218746000000
  H                                                -0.631756000000      2.459844000000     -0.613015000000
  H                                                -0.239946000000      2.056537000000      0.923147000000
  H                                                 3.302392000000     -0.158123000000      0.485808000000
  H                                                 2.698710000000      0.120238000000     -1.148924000000
  H                                                 2.557607000000      1.394116000000      0.066259000000
  H                                                 1.885722000000     -2.256885000000      0.562881000000
  H                                                 0.132400000000     -2.176666000000      0.418486000000
  H                                                 1.144663000000     -1.956563000000     -1.009918000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Sun Sep 26 19:47:55 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.529004   0.000000
     3  C    2.536510   1.540270   0.000000
     4  C    2.909245   2.533112   1.521627   0.000000
     5  O    3.414971   2.967992   2.388928   1.358113   0.000000
     6  C    2.518767   1.527562   2.518047   3.872972   4.402010
     7  N    3.824973   2.472787   1.462439   2.473693   2.899200
     8  O    3.482741   3.478140   2.430822   1.203459   2.243211
     9  H    2.817710   2.154373   1.091525   2.095246   3.274998
    10  H    2.142548   1.095497   2.134385   2.811972   2.714916
    11  H    4.032934   3.837381   3.217745   1.884872   0.969689
    12  H    4.581801   3.361753   2.056270   2.715303   3.256026
    13  H    4.109078   2.746882   2.049169   2.670008   2.582408
    14  H    2.773296   2.165494   3.471089   4.687149   5.046606
    15  H    2.755318   2.167517   2.810442   4.165045   4.965476
    16  H    3.472805   2.173155   2.727984   4.188150   4.627594
    17  H    1.090922   2.164677   3.484402   3.935081   4.244480
    18  H    1.091116   2.189679   2.822279   2.593035   2.891626
    19  H    1.092825   2.172861   2.786561   3.203343   4.042045
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.962641   0.000000
     8  O    4.741092   3.422062   0.000000
     9  H    2.713373   2.077738   2.517965   0.000000
    10  H    2.145917   2.653764   3.918362   3.034190   0.000000
    11  H    5.309963   3.762988   2.282986   3.968962   3.609377
    12  H    3.835737   1.012899   3.404120   2.342268   3.616346
    13  H    3.405380   1.013837   3.752978   2.928031   2.504817
    14  H    1.091508   3.925140   5.575191   3.738516   2.471982
    15  H    1.093563   3.413903   4.809486   2.559108   3.059758
    16  H    1.088369   2.591311   5.138304   2.991372   2.510535
    17  H    2.728540   4.628086   4.545533   3.792534   2.502695
    18  H    3.481975   4.141418   3.039330   3.238382   2.482387
    19  H    2.806574   4.163722   3.469579   2.628981   3.059843
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.962347   0.000000
    13  H    3.451806   1.635838   0.000000
    14  H    5.934566   4.851668   4.200493   0.000000
    15  H    5.813757   4.105235   4.083923   1.764728   0.000000
    16  H    5.582674   3.430631   2.999894   1.772053   1.766167
    17  H    4.855189   5.474300   4.822226   2.533317   3.040056
    18  H    3.304678   4.810941   4.279408   3.758710   3.783978
    19  H    4.588659   4.776803   4.664639   3.182354   2.597593
                   16         17         18         19
    16  H    0.000000
    17  H    3.745380   0.000000
    18  H    4.330840   1.761086   0.000000
    19  H    3.792310   1.764386   1.764500   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.72D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.8491417           1.5403062           1.2504232
 Leave Link  202 at Sun Sep 26 19:47:55 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.3201849877 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0117958552 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.3083891325 Hartrees.
 Leave Link  301 at Sun Sep 26 19:47:56 2021, MaxMem=  6442450944 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  3.67D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Sun Sep 26 19:47:56 2021, MaxMem=  6442450944 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:47:56 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer05_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:47:56 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442300239 LenY=  6442226898
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.985099821836    
 DIIS: error= 3.07D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.985099821836     IErMin= 1 ErrMin= 3.07D-03
 ErrMax= 3.07D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-02 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.07D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.402 Goal=   None    Shift=    0.000
 GapD=    0.402 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.50D-03 MaxDP=2.61D-01              OVMax= 1.62D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.44D-03    CP:  1.04D+00
 E= -401.994204409599     Delta-E=       -0.009104587763 Rises=F Damp=F
 DIIS: error= 6.91D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.994204409599     IErMin= 2 ErrMin= 6.91D-04
 ErrMax= 6.91D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.93D-04 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.91D-03
 Coeff-Com: -0.594D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.590D-02 0.101D+01
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=7.68D-04 MaxDP=2.98D-02 DE=-9.10D-03 OVMax= 6.17D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.35D-04    CP:  1.04D+00  1.12D+00
 E= -401.994535814030     Delta-E=       -0.000331404431 Rises=F Damp=F
 DIIS: error= 6.10D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.994535814030     IErMin= 3 ErrMin= 6.10D-04
 ErrMax= 6.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.96D-04 BMatP= 3.93D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.10D-03
 Coeff-Com: -0.476D-01 0.474D+00 0.574D+00
 Coeff-En:   0.000D+00 0.160D-01 0.984D+00
 Coeff:     -0.473D-01 0.471D+00 0.576D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.70D-04 MaxDP=1.02D-02 DE=-3.31D-04 OVMax= 2.15D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.08D-04    CP:  1.05D+00  1.14D+00  1.04D+00
 E= -401.994741397157     Delta-E=       -0.000205583127 Rises=F Damp=F
 DIIS: error= 1.05D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.994741397157     IErMin= 4 ErrMin= 1.05D-04
 ErrMax= 1.05D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.58D-06 BMatP= 2.96D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.05D-03
 Coeff-Com: -0.135D-01 0.733D-01 0.148D+00 0.793D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.135D-01 0.732D-01 0.147D+00 0.793D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=5.74D-05 MaxDP=2.62D-03 DE=-2.06D-04 OVMax= 9.02D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.39D-05    CP:  1.05D+00  1.14D+00  1.11D+00  1.20D+00
 E= -401.994748731021     Delta-E=       -0.000007333864 Rises=F Damp=F
 DIIS: error= 5.63D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.994748731021     IErMin= 5 ErrMin= 5.63D-05
 ErrMax= 5.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-06 BMatP= 7.58D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-02-0.417D-01-0.383D-01 0.318D+00 0.760D+00
 Coeff:      0.195D-02-0.417D-01-0.383D-01 0.318D+00 0.760D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=2.48D-05 MaxDP=1.73D-03 DE=-7.33D-06 OVMax= 4.93D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.46D-05    CP:  1.05D+00  1.15D+00  1.14D+00  1.30D+00  1.07D+00
 E= -401.994750685550     Delta-E=       -0.000001954529 Rises=F Damp=F
 DIIS: error= 1.51D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.994750685550     IErMin= 6 ErrMin= 1.51D-05
 ErrMax= 1.51D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-07 BMatP= 1.86D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.150D-02-0.220D-01-0.233D-01 0.104D+00 0.334D+00 0.606D+00
 Coeff:      0.150D-02-0.220D-01-0.233D-01 0.104D+00 0.334D+00 0.606D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=6.14D-06 MaxDP=6.20D-04 DE=-1.95D-06 OVMax= 1.51D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.58D-06    CP:  1.05D+00  1.15D+00  1.14D+00  1.32D+00  1.13D+00
                    CP:  1.17D+00
 E= -401.994750830503     Delta-E=       -0.000000144952 Rises=F Damp=F
 DIIS: error= 5.67D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.994750830503     IErMin= 7 ErrMin= 5.67D-06
 ErrMax= 5.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.85D-08 BMatP= 1.60D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.220D-03-0.424D-03-0.119D-02-0.278D-01-0.247D-01 0.278D+00
 Coeff-Com:  0.775D+00
 Coeff:      0.220D-03-0.424D-03-0.119D-02-0.278D-01-0.247D-01 0.278D+00
 Coeff:      0.775D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=4.53D-06 MaxDP=5.57D-04 DE=-1.45D-07 OVMax= 1.20D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.69D-06    CP:  1.05D+00  1.15D+00  1.14D+00  1.34D+00  1.20D+00
                    CP:  1.34D+00  1.33D+00
 E= -401.994750871523     Delta-E=       -0.000000041020 Rises=F Damp=F
 DIIS: error= 1.52D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.994750871523     IErMin= 8 ErrMin= 1.52D-06
 ErrMax= 1.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-09 BMatP= 2.85D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.128D-03 0.272D-02 0.284D-02-0.212D-01-0.493D-01-0.143D-01
 Coeff-Com:  0.210D+00 0.869D+00
 Coeff:     -0.128D-03 0.272D-02 0.284D-02-0.212D-01-0.493D-01-0.143D-01
 Coeff:      0.210D+00 0.869D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=2.07D-06 MaxDP=2.79D-04 DE=-4.10D-08 OVMax= 5.58D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.09D-07    CP:  1.05D+00  1.15D+00  1.14D+00  1.35D+00  1.22D+00
                    CP:  1.42D+00  1.52D+00  1.34D+00
 E= -401.994750876405     Delta-E=       -0.000000004882 Rises=F Damp=F
 DIIS: error= 5.85D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.994750876405     IErMin= 9 ErrMin= 5.85D-07
 ErrMax= 5.85D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-10 BMatP= 2.32D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.621D-04 0.906D-03 0.999D-03-0.435D-02-0.133D-01-0.346D-01
 Coeff-Com: -0.866D-02 0.280D+00 0.779D+00
 Coeff:     -0.621D-04 0.906D-03 0.999D-03-0.435D-02-0.133D-01-0.346D-01
 Coeff:     -0.866D-02 0.280D+00 0.779D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=7.65D-07 MaxDP=1.09D-04 DE=-4.88D-09 OVMax= 1.76D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.99D-07    CP:  1.05D+00  1.15D+00  1.14D+00  1.35D+00  1.23D+00
                    CP:  1.44D+00  1.59D+00  1.51D+00  1.26D+00
 E= -401.994750876986     Delta-E=       -0.000000000582 Rises=F Damp=F
 DIIS: error= 1.81D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.994750876986     IErMin=10 ErrMin= 1.81D-07
 ErrMax= 1.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-11 BMatP= 2.73D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.548D-05-0.215D-03-0.238D-03 0.228D-02 0.496D-02-0.297D-02
 Coeff-Com: -0.297D-01-0.833D-01 0.120D+00 0.989D+00
 Coeff:      0.548D-05-0.215D-03-0.238D-03 0.228D-02 0.496D-02-0.297D-02
 Coeff:     -0.297D-01-0.833D-01 0.120D+00 0.989D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=2.60D-07 MaxDP=3.28D-05 DE=-5.82D-10 OVMax= 8.78D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.14D-08    CP:  1.05D+00  1.15D+00  1.14D+00  1.35D+00  1.23D+00
                    CP:  1.45D+00  1.61D+00  1.58D+00  1.44D+00  1.26D+00
 E= -401.994750877079     Delta-E=       -0.000000000093 Rises=F Damp=F
 DIIS: error= 9.09D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.994750877079     IErMin=11 ErrMin= 9.09D-08
 ErrMax= 9.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.64D-12 BMatP= 2.60D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.887D-05-0.174D-03-0.194D-03 0.126D-02 0.314D-02 0.273D-02
 Coeff-Com: -0.943D-02-0.580D-01-0.444D-01 0.323D+00 0.782D+00
 Coeff:      0.887D-05-0.174D-03-0.194D-03 0.126D-02 0.314D-02 0.273D-02
 Coeff:     -0.943D-02-0.580D-01-0.444D-01 0.323D+00 0.782D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=6.78D-08 MaxDP=7.87D-06 DE=-9.25D-11 OVMax= 2.12D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.11D-08    CP:  1.05D+00  1.15D+00  1.14D+00  1.35D+00  1.23D+00
                    CP:  1.45D+00  1.61D+00  1.60D+00  1.49D+00  1.38D+00
                    CP:  1.22D+00
 E= -401.994750877073     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 2.81D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -401.994750877079     IErMin=12 ErrMin= 2.81D-08
 ErrMax= 2.81D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.81D-13 BMatP= 4.64D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-05-0.561D-05-0.508D-05-0.869D-04-0.101D-03 0.123D-02
 Coeff-Com:  0.290D-02 0.110D-02-0.320D-01-0.906D-01 0.192D+00 0.926D+00
 Coeff:      0.120D-05-0.561D-05-0.508D-05-0.869D-04-0.101D-03 0.123D-02
 Coeff:      0.290D-02 0.110D-02-0.320D-01-0.906D-01 0.192D+00 0.926D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=2.79D-08 MaxDP=1.82D-06 DE= 5.91D-12 OVMax= 1.00D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.02D-08    CP:  1.05D+00  1.15D+00  1.14D+00  1.35D+00  1.23D+00
                    CP:  1.45D+00  1.61D+00  1.60D+00  1.50D+00  1.41D+00
                    CP:  1.41D+00  1.14D+00
 E= -401.994750877092     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 8.28D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -401.994750877092     IErMin=13 ErrMin= 8.28D-09
 ErrMax= 8.28D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.27D-14 BMatP= 5.81D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.813D-06 0.203D-04 0.229D-04-0.172D-03-0.412D-03-0.941D-04
 Coeff-Com:  0.162D-02 0.732D-02-0.529D-03-0.551D-01-0.690D-01 0.166D+00
 Coeff-Com:  0.950D+00
 Coeff:     -0.813D-06 0.203D-04 0.229D-04-0.172D-03-0.412D-03-0.941D-04
 Coeff:      0.162D-02 0.732D-02-0.529D-03-0.551D-01-0.690D-01 0.166D+00
 Coeff:      0.950D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=8.16D-09 MaxDP=6.17D-07 DE=-1.93D-11 OVMax= 3.71D-07

 SCF Done:  E(RwB97XD) =  -401.994750877     A.U. after   13 cycles
            NFock= 13  Conv=0.82D-08     -V/T= 2.0106
 KE= 3.977972651595D+02 PE=-1.751309184141D+03 EE= 5.442087789719D+02
 Leave Link  502 at Sun Sep 26 19:48:56 2021, MaxMem=  6442450944 cpu:             474.2 elap:              59.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.34457745D+02

 Leave Link  801 at Sun Sep 26 19:48:56 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.54D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.56D-01 4.94D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 2.09D-02 3.03D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.70D-03 1.01D-02.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 1.10D-04 2.34D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 3.27D-06 3.14D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 9.21D-08 5.24D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 2.18D-09 9.00D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 4.07D-11 1.13D-06.
      9 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 5.45D-13 9.68D-08.
      2 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 7.62D-15 1.33D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.860997D+02
      2  0.283503D+01  0.779922D+02
      3  0.546460D+00  0.129799D+01  0.723793D+02
 Isotropic polarizability for W=    0.088559       78.82 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.750216D+02 -0.182804D+02  0.520171D+01
      2  -0.304062D+02  0.166097D+02  0.346338D+01
      3  -0.446154D+02  0.167067D+01 -0.866508D+01
      4  -0.231947D+02  0.649846D+02 -0.787290D+01
      5  -0.289236D+00 -0.883390D+01  0.245592D+02
      6  -0.261773D+01 -0.195058D+01 -0.127420D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.469147D+00 -0.500744D+01  0.232232D+01
      2   0.199724D+01 -0.318284D+01  0.205678D+02
      3   0.588661D+01 -0.371871D+02  0.322130D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.961005D+00 -0.541395D+01  0.144127D+02
      2   0.549094D+01 -0.525517D+01  0.691746D+02
      3  -0.491429D+01 -0.953908D+02  0.621617D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.221023D+00  0.762173D+00 -0.864937D+00
      2   0.762173D+00  0.622835D-01  0.877788D+00
      3  -0.864937D+00  0.877788D+00 -0.271951D+00
 OR G Eigenvalues:    -1.8259     0.6019     0.7934  Iso=     0.1436
 Eigenvectors:
   (1)   0.583316  -0.523973   0.620641
   (2)   0.801917   0.250038  -0.542597
   (3)   0.129123   0.814207   0.566034
 w=    0.088559 a.u., Optical Rotation Beta=      0.1436 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =       62.14 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 1.25D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.83D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 3.21D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 3.45D-02 3.39D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 1.50D-03 5.55D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 1.48D-05 5.88D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 1.48D-07 4.76D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 1.23D-09 5.19D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 9.73D-12 3.70D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 6.88D-14 2.89D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 4.85D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 4.85D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.01D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.860997D+02  0.283503D+01  0.546460D+00
      2   0.283503D+01  0.779922D+02  0.129799D+01
      3   0.546460D+00  0.129799D+01  0.723793D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.469147D+00 -0.500744D+01  0.232232D+01
      2   0.199724D+01 -0.318284D+01  0.205678D+02
      3   0.588661D+01 -0.371871D+02  0.322130D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.750216D+02 -0.182804D+02  0.520171D+01
      2  -0.304062D+02  0.166097D+02  0.346338D+01
      3  -0.446154D+02  0.167067D+01 -0.866508D+01
      4  -0.231947D+02  0.649846D+02 -0.787290D+01
      5  -0.289236D+00 -0.883390D+01  0.245592D+02
      6  -0.261773D+01 -0.195058D+01 -0.127420D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.102542D+01  0.464258D+01 -0.316273D+01  0.421039D+01 -0.643716D+00
      2   0.464258D+01 -0.903282D+00  0.398098D+00 -0.643716D+00 -0.308163D+01
      3  -0.316273D+01  0.398098D+00 -0.890108D+00  0.302960D+00 -0.115671D+01
                 6             7             8             9            10 
      1   0.302960D+00 -0.353109D+01  0.517973D+00 -0.114498D+01  0.302397D+00
      2  -0.115671D+01  0.517973D+00 -0.180531D+01  0.276103D+01 -0.407462D+01
      3   0.212100D+01 -0.114498D+01  0.276103D+01  0.499739D+01  0.186388D+01
                11            12            13            14            15 
      1  -0.407462D+01  0.186388D+01 -0.561192D+01  0.939280D+00 -0.168103D+00
      2   0.129479D+01  0.172439D-01  0.939280D+00  0.431269D+01  0.761926D+00
      3   0.172439D-01  0.131498D+01 -0.168103D+00  0.761926D+00 -0.149351D+01
                16            17            18            19            20 
      1   0.349892D+01 -0.908510D-01  0.183650D+01 -0.126216D+01  0.396902D+01
      2  -0.908510D-01  0.127941D+01 -0.182289D+01  0.396902D+01 -0.172359D+00
      3   0.183650D+01 -0.182289D+01 -0.764833D+01 -0.225813D+01 -0.241223D+00
                21            22            23            24            25 
      1  -0.225813D+01  0.294333D+01 -0.170875D+01 -0.371887D+00 -0.262264D+01
      2  -0.241223D+00 -0.170875D+01 -0.414797D+01 -0.135809D+01  0.854022D-01
      3  -0.926926D+00 -0.371887D+00 -0.135809D+01  0.114423D+01 -0.132566D+01
                26            27            28            29            30 
      1   0.854022D-01 -0.132566D+01  0.982510D+00  0.364361D+00  0.344713D+01
      2  -0.160233D+01  0.921561D+00  0.364361D+00  0.282087D+01  0.137950D+01
      3   0.921561D+00  0.642265D+01  0.344713D+01  0.137950D+01  0.271363D+01
                31            32            33            34            35 
      1   0.156437D+01  0.129607D+01  0.149525D+01  0.475420D+01  0.185113D+01
      2   0.129607D+01  0.671887D+00  0.152760D+01  0.185113D+01  0.219938D+01
      3   0.149525D+01  0.152760D+01  0.124139D+01  0.204290D+01  0.547235D+00
                36            37            38            39            40 
      1   0.204290D+01  0.544206D+01  0.184308D+01 -0.101343D+01  0.264769D+01
      2   0.547235D+00  0.184308D+01  0.461205D+00 -0.103212D+01  0.468020D+00
      3   0.108668D+00 -0.101343D+01 -0.103212D+01  0.103578D+01 -0.127551D+01
                41            42            43            44            45 
      1   0.468020D+00 -0.127551D+01  0.557332D+00 -0.335144D+00 -0.730509D+00
      2   0.110441D+01  0.923873D+00 -0.335144D+00  0.208517D+01  0.239633D+00
      3   0.923873D+00  0.817865D+00 -0.730509D+00  0.239633D+00  0.489196D+01
                46            47            48            49            50 
      1   0.138197D+00  0.364790D+01 -0.254301D+01  0.449541D+01 -0.119443D+01
      2   0.364790D+01 -0.424519D+00  0.480546D+00 -0.119443D+01 -0.534801D+01
      3  -0.254301D+01  0.480546D+00 -0.223557D+01  0.623444D+00 -0.138957D+01
                51            52            53            54            55 
      1   0.623444D+00 -0.412049D+01  0.398474D+00 -0.313505D+01  0.283105D+01
      2  -0.138957D+01  0.398474D+00 -0.144253D+01  0.152655D+01 -0.235787D+01
      3   0.178610D+01 -0.313505D+01  0.152655D+01  0.522488D+01  0.121946D+01
                56            57            58            59            60 
      1  -0.235787D+01  0.121946D+01 -0.618651D+00  0.241139D+01 -0.432700D+00
      2   0.241518D+01 -0.657249D+00  0.241139D+01  0.432588D+01  0.110590D+01
      3  -0.657249D+00  0.246195D+01 -0.432700D+00  0.110590D+01 -0.103116D+01
                61            62            63            64            65 
      1   0.179583D+01 -0.828259D+00  0.271301D+01 -0.741295D+01 -0.271115D+01
      2  -0.828259D+00  0.995210D+00 -0.107291D+01 -0.271115D+01 -0.313751D+01
      3   0.271301D+01 -0.107291D+01 -0.329286D+01 -0.411810D+01 -0.105728D+01
                66            67            68            69            70 
      1  -0.411810D+01 -0.323924D+01 -0.229710D+01 -0.114231D+01 -0.574811D+01
      2  -0.105728D+01 -0.229710D+01 -0.310817D+01 -0.271594D+01 -0.185310D+01
      3  -0.353379D+01 -0.114231D+01 -0.271594D+01 -0.198464D+01 -0.379353D+01
                71            72            73            74            75 
      1  -0.185310D+01 -0.379353D+01  0.678775D+00 -0.519725D+00 -0.872723D+00
      2  -0.384748D+01 -0.196896D+01 -0.519725D+00  0.411735D+00 -0.408903D-03
      3  -0.196896D+01 -0.692972D+01 -0.872723D+00 -0.408903D-03  0.923446D+00
                76            77            78            79            80 
      1  -0.669076D+00  0.231656D+00  0.410359D-01 -0.141970D+01  0.152901D+00
      2   0.231656D+00  0.371349D+00 -0.950327D+00  0.152901D+00 -0.140009D+01
      3   0.410359D-01 -0.950327D+00 -0.371028D+00  0.445878D+00  0.441690D-01
                81            82            83            84            85 
      1   0.445878D+00 -0.728427D+00  0.867762D+00  0.935903D+00  0.984227D+00
      2   0.441690D-01  0.867762D+00 -0.370084D+00 -0.214619D-01 -0.250301D+00
      3  -0.705371D+01  0.935903D+00 -0.214619D-01 -0.543017D+00 -0.122054D-01
                86            87            88            89            90 
      1  -0.250301D+00 -0.122054D-01  0.147084D+01 -0.886308D-01 -0.364364D+00
      2  -0.962781D-01  0.112548D+01 -0.886308D-01  0.168399D+01  0.817230D+00
      3   0.112548D+01  0.978495D+00 -0.364364D+00  0.817230D+00  0.797784D+01
                91            92            93            94            95 
      1  -0.749593D+01 -0.184783D+01  0.299761D+01 -0.256611D+01 -0.149620D+01
      2  -0.184783D+01 -0.137962D+01  0.765034D+00 -0.149620D+01 -0.976101D+00
      3   0.299761D+01  0.765034D+00 -0.246452D+01  0.115783D+01  0.860135D+00
                96            97            98            99           100 
      1   0.115783D+01  0.980103D+00  0.219568D+00 -0.103462D+01 -0.236388D+01
      2   0.860135D+00  0.219568D+00  0.408424D+00 -0.311705D+00  0.265461D+01
      3  -0.105677D+01 -0.103462D+01 -0.311705D+00  0.156153D+01 -0.117170D+01
               101           102           103           104           105 
      1   0.265461D+01 -0.117170D+01  0.222064D+01 -0.230603D+01  0.905728D+00
      2  -0.346155D+01  0.117929D+01 -0.230603D+01  0.448338D+01 -0.133855D+01
      3   0.117929D+01 -0.122774D+01  0.905728D+00 -0.133855D+01  0.122449D+01
               106           107           108           109           110 
      1  -0.194748D+01  0.156762D+01 -0.138547D+01 -0.357136D+00  0.744778D+00
      2   0.156762D+01 -0.288703D+01  0.177077D+01  0.744778D+00 -0.702053D+00
      3  -0.138547D+01  0.177077D+01 -0.175732D+01  0.479865D+00 -0.501521D+00
               111           112           113           114           115 
      1   0.479865D+00  0.529307D+00 -0.277409D+00 -0.384940D+00  0.133452D+01
      2  -0.501521D+00 -0.277409D+00  0.118644D+01  0.842566D+00 -0.609495D+00
      3  -0.940636D+00 -0.384940D+00  0.842566D+00  0.936950D+00 -0.111398D+01
               116           117           118           119           120 
      1  -0.609495D+00 -0.111398D+01  0.697019D+01 -0.166109D+01  0.235984D+01
      2   0.257343D+01  0.205112D+01 -0.166109D+01  0.129161D+01 -0.539844D+00
      3   0.205112D+01  0.526149D+01  0.235984D+01 -0.539844D+00  0.187466D+01
               121           122           123           124           125 
      1  -0.345931D+01  0.161553D+01 -0.831091D+00  0.414238D+01 -0.666069D+00
      2   0.161553D+01 -0.879110D+00  0.875209D+00 -0.666069D+00  0.118043D+01
      3  -0.831091D+00  0.875209D+00 -0.107955D+01  0.236660D+01 -0.781489D+00
               126           127           128           129           130 
      1   0.236660D+01  0.130511D+01 -0.368731D+00 -0.103228D+01 -0.105822D+01
      2  -0.781489D+00 -0.368731D+00  0.230216D+00  0.230280D-01  0.525314D+00
      3   0.162526D+01 -0.103228D+01  0.230280D-01  0.118378D+01  0.270303D+00
               131           132           133           134           135 
      1   0.525314D+00  0.270303D+00 -0.268402D+01 -0.772629D-01  0.263864D+01
      2   0.680967D-01 -0.781747D+00 -0.772629D-01 -0.133058D+01 -0.350454D+00
      3  -0.781747D+00 -0.995616D+00  0.263864D+01 -0.350454D+00 -0.688738D+01
               136           137           138           139           140 
      1   0.586127D+00  0.899685D+00  0.378920D+00  0.240187D+01  0.196135D+01
      2   0.899685D+00  0.101299D+01  0.580431D-01  0.196135D+01  0.775851D+01
      3   0.378920D+00  0.580431D-01  0.304707D+00  0.602127D-01  0.638679D+00
               141           142           143           144           145 
      1   0.602127D-01  0.802063D+00  0.175604D+00  0.703705D+00  0.435223D+01
      2   0.638679D+00  0.175604D+00  0.917429D+00  0.835436D+00 -0.305345D+01
      3   0.104365D+01  0.703705D+00  0.835436D+00 -0.417223D-01  0.174909D+01
               146           147           148           149           150 
      1  -0.305345D+01  0.174909D+01 -0.229411D+01  0.230262D+01 -0.819819D+00
      2   0.348158D+01 -0.108089D+01  0.230262D+01 -0.327409D+01  0.133994D+01
      3  -0.108089D+01  0.155831D+01 -0.819819D+00  0.133994D+01 -0.117830D+01
               151           152           153           154           155 
      1   0.223699D+01 -0.126060D+01  0.148231D+01 -0.518060D+01 -0.220282D+01
      2  -0.126060D+01  0.232738D+01 -0.164968D+01 -0.220282D+01 -0.322606D+01
      3   0.148231D+01 -0.164968D+01  0.135871D+01  0.132763D+01  0.693664D+00
               156           157           158           159           160 
      1   0.132763D+01 -0.193664D+01 -0.178219D+01  0.517932D+00  0.169249D+01
      2   0.693664D+00 -0.178219D+01 -0.237625D+01  0.821100D+00  0.558711D+00
      3  -0.111979D+01  0.517932D+00  0.821100D+00 -0.880176D+00 -0.846333D+00
               161           162           163           164           165 
      1   0.558711D+00 -0.846333D+00  0.187010D+00 -0.836485D+00 -0.587214D+00
      2   0.147479D+01 -0.113100D+01 -0.836485D+00  0.356855D+00  0.137553D+00
      3  -0.113100D+01  0.578539D+00 -0.587214D+00  0.137553D+00  0.510844D+00
               166           167           168           169           170 
      1  -0.543946D+00  0.204910D+00  0.638592D-01 -0.119214D+01  0.282028D+00
      2   0.204910D+00 -0.995045D+00 -0.113148D+01  0.282028D+00 -0.280970D+01
      3   0.638592D-01 -0.113148D+01 -0.122341D+01  0.644964D+00 -0.242564D+01
               171 
      1   0.644964D+00
      2  -0.242564D+01
      3  -0.639788D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.654853D+01  0.717569D+00 -0.162183D+01  0.375717D+00 -0.501589D+01
      2  -0.373303D+01  0.104856D+01  0.700288D+00  0.400034D+00 -0.975894D+00
      3  -0.869605D+01 -0.133252D+02  0.643112D+01 -0.735565D+01  0.534001D+01
                 6             7             8             9            10 
      1   0.268616D+01 -0.250672D+01  0.934215D+01  0.103603D+02 -0.464462D+00
      2   0.246291D+01 -0.321948D+01  0.328900D+01  0.593943D+01  0.275973D+01
      3   0.760450D+00  0.711031D+01  0.448462D+00 -0.130602D+01  0.685160D+01
                11            12            13            14            15 
      1  -0.218605D+00  0.369044D+00 -0.112637D+01  0.215306D+01 -0.299958D+01
      2  -0.204795D-01  0.455395D+01 -0.755880D+00  0.694295D+00 -0.198956D+01
      3  -0.329746D+01  0.192018D+00  0.302863D+01 -0.542866D+01 -0.117107D+01
                16            17            18            19            20 
      1   0.733627D+00  0.367464D+01 -0.236625D+01 -0.121733D+01 -0.183225D+01
      2  -0.203686D+01 -0.239309D+01 -0.991085D+01  0.315420D+01 -0.354311D+00
      3   0.169823D+01 -0.200773D+01  0.229672D+01 -0.207017D+01 -0.360309D+01
                21            22            23            24            25 
      1  -0.887525D-01 -0.997289D+00  0.304541D+01  0.210613D+00  0.779512D+00
      2   0.532075D+00  0.178555D+01 -0.561797D+00  0.129258D+00 -0.636195D+01
      3  -0.255934D+00  0.197674D+00 -0.467449D+01  0.182426D+01 -0.279184D+01
                26            27            28            29            30 
      1   0.486679D+01 -0.276408D+01 -0.209725D+01 -0.373470D+01  0.369089D+01
      2   0.120717D+00 -0.810542D+00 -0.322616D+01 -0.109395D+00 -0.117291D+01
      3   0.212488D+01 -0.935335D+00 -0.797674D+01  0.595560D+01  0.756282D+00
                31            32            33            34            35 
      1   0.143302D+01 -0.176568D+01 -0.911470D+01  0.149328D+01 -0.568975D+01
      2   0.305400D+01 -0.192537D+01 -0.641560D+01 -0.113359D+00 -0.280692D+01
      3   0.190953D+02  0.132614D+02 -0.246343D+00 -0.895127D+00 -0.253688D+01
                36            37            38            39            40 
      1   0.384175D+01  0.179809D+01 -0.394461D+00 -0.183623D+00  0.294915D+00
      2  -0.252087D+01 -0.308826D+01  0.708069D-01  0.554602D+00 -0.627914D+00
      3   0.663173D+00  0.339218D+01 -0.814091D+00 -0.158977D+01  0.554966D+00
                41            42            43            44            45 
      1   0.819822D+00 -0.280108D+00 -0.190902D+00  0.541200D+01  0.461748D+00
      2  -0.321950D+01 -0.661845D+00 -0.666215D+01 -0.150876D+01 -0.866650D+01
      3   0.515288D+00  0.287222D+01  0.183290D+00  0.372524D+01  0.916920D+00
                46            47            48            49            50 
      1   0.109854D+01  0.429922D+00  0.531738D+00  0.138082D+01  0.187139D+01
      2  -0.889693D+01  0.134972D+01 -0.521647D+01  0.229891D+01 -0.412813D+01
      3  -0.963191D+01  0.118605D+01 -0.226861D+01  0.947635D+01  0.167693D+02
                51            52            53            54            55 
      1  -0.244281D+01  0.136250D+01  0.131434D+01 -0.249407D+01 -0.137852D+01
      2   0.477440D+01 -0.128329D+02  0.384126D+01  0.143409D+02  0.942020D+00
      3   0.363885D+01 -0.366793D+01  0.451095D+01 -0.587742D+01  0.707392D+01
                56            57            58            59            60 
      1   0.335183D+01 -0.732448D+01  0.255394D+01 -0.410394D+01 -0.230626D+01
      2   0.165598D+01  0.428799D+01  0.692152D-02  0.531243D+00  0.118942D+01
      3  -0.115712D+02  0.165651D+01  0.257771D+01  0.508465D+01 -0.262606D+01
                61            62            63            64            65 
      1  -0.702431D+01  0.782016D+01  0.800191D+01  0.228688D+01  0.652645D+01
      2  -0.157577D+01  0.455198D+00 -0.107941D+01 -0.365273D+00 -0.186454D-01
      3   0.354263D+01 -0.239425D+01  0.662404D+01  0.247143D+01 -0.781634D+01
                66            67            68            69            70 
      1  -0.280260D+01 -0.208844D+00  0.282092D+01 -0.129719D+01  0.660887D+00
      2   0.918492D+01 -0.354899D+01  0.395827D+01  0.542991D+01 -0.250376D+01
      3  -0.603422D+00 -0.304136D+01 -0.833545D+01 -0.261648D+01  0.211720D+00
                71            72            73            74            75 
      1   0.844107D+01 -0.219625D+01  0.920965D+00 -0.349651D+00 -0.367152D+00
      2   0.298494D+01  0.116375D+02  0.735298D+00 -0.514974D+00  0.777189D+00
      3  -0.237242D+01 -0.217482D+01  0.638462D+00 -0.712140D+00 -0.529991D+00
                76            77            78            79            80 
      1  -0.330647D-01  0.375174D+00 -0.314607D+00 -0.587099D+00  0.332115D+01
      2  -0.703918D+00  0.279758D+00 -0.658593D-01 -0.368997D+01  0.261198D+00
      3   0.106070D+01  0.873397D-02 -0.135219D+00 -0.470892D+00  0.112653D+00
                81            82            83            84            85 
      1   0.333175D+01  0.954165D+00 -0.571440D+00 -0.130552D+00 -0.204669D+00
      2   0.685630D+00  0.232818D+01 -0.551671D+00 -0.488482D+00 -0.102013D+01
      3  -0.172999D-04 -0.935638D+00 -0.684063D+00 -0.287052D+00  0.125992D+01
                86            87            88            89            90 
      1   0.719355D+00 -0.316130D+00 -0.596739D+00  0.394953D+01  0.217304D+01
      2   0.177431D+01  0.114464D+01 -0.463976D+01  0.140385D+01  0.981812D+01
      3   0.627228D-01 -0.118289D+01 -0.143004D+00 -0.167722D+01 -0.635976D+00
                91            92            93            94            95 
      1  -0.124546D+01 -0.176289D+01 -0.288010D+00 -0.120895D+01 -0.146073D+01
      2   0.226027D+01  0.290632D+00  0.346619D+01  0.646051D+00 -0.154633D+00
      3  -0.177369D+01 -0.392063D+01  0.101876D+01 -0.154153D+01 -0.264361D+01
                96            97            98            99           100 
      1  -0.230923D+00  0.655895D+00  0.823757D+00 -0.370233D+00  0.259471D+01
      2   0.155461D+01 -0.517044D+00  0.697383D-02 -0.880235D+00 -0.140005D+01
      3   0.929622D+00  0.586339D+00  0.846843D+00 -0.479337D+00 -0.676845D+01
               101           102           103           104           105 
      1  -0.242778D+01  0.400731D+01 -0.243330D+01  0.223967D+01 -0.345511D+01
      2  -0.111562D+00  0.801776D+00  0.229998D+00  0.813136D-02 -0.671630D+00
      3   0.448471D+01 -0.294507D+01  0.702422D+01 -0.474930D+01  0.255991D+01
               106           107           108           109           110 
      1   0.335635D+01 -0.236956D+01  0.369333D+01 -0.148810D+01  0.839239D+00
      2  -0.117157D+01 -0.214087D+00  0.420711D+00  0.726545D+00  0.131867D+00
      3  -0.560890D+01  0.335480D+01 -0.365005D+01 -0.114156D+01  0.553109D+00
               111           112           113           114           115 
      1   0.332449D+01  0.763681D+00 -0.259082D+01 -0.255597D+01  0.314960D+01
      2  -0.133868D+00  0.239312D+00 -0.187242D-01 -0.154237D+00 -0.249195D+01
      3   0.992149D+00  0.141408D+01 -0.107864D+01 -0.967071D+00  0.358027D+01
               116           117           118           119           120 
      1  -0.314471D+01 -0.133516D+02 -0.571451D+00  0.662478D+00 -0.562444D-02
      2   0.179499D+00  0.551281D+00  0.617865D+01 -0.184755D+01  0.767588D+01
      3  -0.133695D+01 -0.334748D+01  0.660384D+01 -0.653290D+01  0.273398D+01
               121           122           123           124           125 
      1  -0.344585D-01 -0.733501D+00 -0.521692D+00 -0.329818D+00  0.165052D+01
      2  -0.205575D+01  0.246670D+01 -0.417354D+01  0.518487D+01 -0.248656D+01
      3  -0.417924D+01  0.408046D+01 -0.269168D+01  0.312338D+01 -0.476173D+01
               126           127           128           129           130 
      1  -0.652708D-01  0.560145D+00 -0.285628D+00 -0.685484D+00  0.267501D-01
      2   0.526624D+01 -0.264177D+01 -0.174091D-01  0.448529D+01  0.110724D+00
      3   0.313424D+01  0.146760D+01 -0.168851D+01 -0.560905D+00 -0.683998D+00
               131           132           133           134           135 
      1   0.703421D+00 -0.280132D+00 -0.896704D+00  0.327187D+01  0.287597D+01
      2  -0.200310D+01 -0.279208D+01  0.364564D+01 -0.127639D+01 -0.197403D+02
      3   0.150866D+00  0.183602D+01 -0.545932D+00  0.438879D+01  0.244101D+01
               136           137           138           139           140 
      1  -0.180071D+00 -0.324465D+00 -0.486645D+00 -0.173587D+00 -0.794250D+00
      2   0.124308D+01 -0.271915D-01  0.119703D+01 -0.142307D+00  0.202194D+01
      3  -0.213579D+01 -0.246889D+01  0.197686D-01  0.140294D+00 -0.224089D+02
               141           142           143           144           145 
      1  -0.283402D+01 -0.650054D+00  0.361000D+00 -0.426607D-01  0.333734D+01
      2   0.358267D+01  0.333361D+00  0.213932D+01 -0.236035D+00  0.972669D+00
      3  -0.188006D+01  0.314223D+00 -0.256756D+01 -0.143571D+01 -0.624236D+01
               146           147           148           149           150 
      1  -0.110952D+01  0.438344D+01 -0.160605D+01  0.206737D+01 -0.357214D+01
      2  -0.108289D+01  0.342396D+01 -0.403268D+00  0.137750D+01 -0.209992D+01
      3  -0.507268D+00 -0.243458D+01  0.420735D+01 -0.389386D+00  0.348752D+00
               151           152           153           154           155 
      1   0.288202D+01 -0.149467D+01  0.278930D+01  0.273371D+01  0.421929D+00
      2   0.247499D+00 -0.190418D+01  0.191918D+01  0.286044D+01  0.610785D+00
      3  -0.414903D+01 -0.930793D+00 -0.885092D+00  0.164836D+02  0.546288D+01
               156           157           158           159           160 
      1  -0.335472D+01  0.719486D+00  0.111689D+01 -0.269086D+01 -0.208626D+01
      2   0.394141D+00  0.714741D+00  0.105766D+01 -0.271628D-01 -0.248132D+01
      3  -0.372677D+01  0.789890D+01  0.528410D+01 -0.202114D+01 -0.484575D+01
               161           162           163           164           165 
      1  -0.820728D+00  0.107383D+01 -0.109337D+01  0.619688D-01  0.103257D+01
      2  -0.942294D+00  0.321424D+00 -0.535627D+00  0.146419D+00  0.116771D+01
      3  -0.195927D+01  0.287774D+01  0.972817D+00  0.298689D+00  0.752200D+00
               166           167           168           169           170 
      1   0.204275D+00 -0.211637D+01 -0.387580D+01  0.121187D+01 -0.172884D+01
      2  -0.228092D+00 -0.118264D+01 -0.121638D+01 -0.216597D+01 -0.256638D+01
      3   0.191810D+01  0.567647D+00  0.104169D+01  0.276801D+01  0.303217D+01
               171 
      1  -0.143032D+02
      2  -0.732946D+01
      3   0.177340D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.946549D+01  0.108201D+02 -0.743432D+01  0.874034D+01 -0.113168D+02
      2  -0.164212D+02 -0.425329D+01  0.310182D+01 -0.290300D+01  0.152997D+02
      3   0.695571D+01 -0.656679D+01  0.433250D+01 -0.583733D+01 -0.398289D+01
      4   0.723842D+01 -0.194946D+02  0.128040D+02 -0.171863D+02 -0.300429D+01
      5  -0.696819D+01  0.588057D+01 -0.453346D+01  0.401834D+01 -0.346153D+01
      6   0.154288D+02 -0.167920D+01  0.381299D+01 -0.171707D+01  0.755906D+01
                 6             7             8             9            10 
      1  -0.720214D+00 -0.809082D+01  0.712070D-01  0.462612D+01 -0.113623D+02
      2   0.519925D+01  0.204812D+01  0.661105D+01 -0.493577D+01  0.846852D+01
      3  -0.447904D+01  0.604270D+01 -0.668226D+01  0.309644D+00  0.289382D+01
      4  -0.391732D+01  0.124391D+02 -0.600435D+01  0.949753D+01 -0.123463D+02
      5   0.553907D+01 -0.568594D+01  0.734058D+01  0.117267D+02  0.524577D+01
      6  -0.864914D+01  0.494794D+01 -0.126336D+02 -0.185167D+02 -0.210802D+01
                11            12            13            14            15 
      1  -0.127792D+02  0.342538D+01 -0.160471D+02  0.919743D+01  0.195485D+01
      2   0.668730D+01 -0.402190D+01  0.967171D+01 -0.102613D+02  0.656930D-01
      3   0.609195D+01  0.596512D+00  0.637537D+01  0.106383D+01 -0.202054D+01
      4   0.442073D+01 -0.909464D+00  0.528359D+01  0.817884D+01  0.175891D+01
      5  -0.127739D-01  0.289359D+01  0.667186D-01  0.165165D+01 -0.427427D+01
      6   0.397873D+00 -0.129591D+01  0.808862D+00 -0.216689D+01  0.511340D+00
                16            17            18            19            20 
      1   0.849951D+01  0.271997D+01  0.930372D+01 -0.113792D+02 -0.267535D+01
      2  -0.460056D+01 -0.425740D+00  0.577832D+01  0.113071D+02  0.486714D+01
      3  -0.389895D+01 -0.229423D+01 -0.150820D+02  0.720238D-01 -0.219179D+01
      4  -0.132232D+01  0.205242D+01 -0.414254D+01  0.161458D+01  0.151795D+01
      5   0.736315D+01 -0.359141D+01 -0.177442D+02  0.575305D+01  0.892803D+00
      6  -0.597054D+00  0.437619D+01  0.990048D-01  0.135844D+01 -0.314787D+00
                21            22            23            24            25 
      1   0.196443D+01  0.728439D+01  0.106499D+02  0.500076D+01 -0.349844D+01
      2  -0.274564D+01 -0.663040D+01 -0.188982D+02 -0.270014D+01 -0.175418D+00
      3   0.781208D+00 -0.653986D+00  0.824836D+01 -0.230062D+01  0.367386D+01
      4   0.204295D+01 -0.888196D+01  0.747589D+00  0.138613D+01  0.113818D+01
      5   0.243080D-01  0.311483D+01  0.419619D+01  0.276869D+00  0.645253D+00
      6   0.207717D+00  0.170390D+01 -0.473594D+00 -0.230951D+01 -0.123473D+00
                26            27            28            29            30 
      1   0.321999D+01  0.612369D+01 -0.978353D+01 -0.176851D+01 -0.704300D+01
      2  -0.359069D+01  0.794690D+01  0.110030D+02  0.265120D+01  0.639804D+01
      3   0.370702D+00 -0.140706D+02 -0.121946D+01 -0.882684D+00  0.644964D+00
      4  -0.207514D+01  0.248456D+00 -0.517721D+01 -0.518580D+01 -0.637383D+01
      5   0.817046D+00  0.236506D+01 -0.176064D+02 -0.736023D+01 -0.191941D+02
      6   0.203944D+01  0.577266D+01 -0.492467D+01 -0.354797D+01 -0.562937D+01
                31            32            33            34            35 
      1  -0.531868D+01 -0.468136D+01 -0.352323D+01 -0.207125D+02 -0.807298D+01
      2   0.225028D+01  0.694457D+01  0.516502D+01  0.915809D+01  0.292114D+00
      3   0.306840D+01 -0.226321D+01 -0.164178D+01  0.115544D+02  0.778087D+01
      4   0.275554D+01 -0.998773D+01 -0.267521D+01 -0.130176D+02 -0.562276D+01
      5  -0.106756D+02 -0.633569D+01 -0.108541D+02 -0.191364D+02 -0.298499D+01
      6  -0.152901D+01 -0.557811D+01  0.224381D+00 -0.528902D+00 -0.879918D+01
                36            37            38            39            40 
      1  -0.234788D+01 -0.177172D+02 -0.736838D+01  0.463788D+01 -0.119188D+02
      2   0.751823D+01  0.774946D+01  0.284119D+01 -0.145460D+01  0.726262D+01
      3  -0.517035D+01  0.996774D+01  0.452719D+01 -0.318328D+01  0.465619D+01
      4  -0.274356D+01 -0.117803D+02 -0.176425D+00  0.572894D+01 -0.444270D+00
      5  -0.483098D+01  0.110823D+02  0.787144D+01  0.113485D+01  0.918852D+01
      6  -0.277582D+01  0.563784D+01  0.919344D+00 -0.207760D+01  0.194670D+01
                41            42            43            44            45 
      1  -0.611148D+01  0.520756D+01  0.139399D+01  0.693401D+00 -0.121341D+02
      2   0.501903D+01 -0.437318D+01  0.413117D+01  0.298832D+01 -0.109331D+02
      3   0.109244D+01 -0.834388D+00 -0.552515D+01 -0.368172D+01  0.230672D+02
      4  -0.386018D+01 -0.410340D+01  0.489441D+01 -0.370537D+01 -0.359966D+01
      5  -0.264750D+01 -0.429826D+01  0.105390D+02 -0.275614D+01 -0.205098D+02
      6   0.157540D+01  0.588594D+01 -0.245676D+01  0.863227D+01 -0.151606D+01
                46            47            48            49            50 
      1   0.397462D-02  0.213476D+02 -0.169206D+02  0.257253D+02 -0.293796D+01
      2   0.900949D+00 -0.127743D+02  0.797380D+01 -0.168938D+02 -0.471835D+01
      3  -0.904923D+00 -0.857328D+01  0.894682D+01 -0.883150D+01  0.765632D+01
      4   0.213511D+02 -0.224278D+01  0.241777D+01 -0.624999D+01 -0.249598D+02
      5  -0.187960D+02  0.315948D+01 -0.130048D+02  0.420319D+01 -0.891316D+01
      6  -0.372370D-01 -0.316508D+00  0.419517D+00 -0.147342D+01 -0.212493D+01
                51            52            53            54            55 
      1   0.569583D+01 -0.228015D+02  0.367325D+01 -0.120629D+02  0.150340D+02
      2  -0.304528D+01  0.929134D+01 -0.195011D+01  0.139308D+02 -0.137427D+02
      3  -0.265054D+01  0.135102D+02 -0.172314D+01 -0.186797D+01 -0.129129D+01
      4  -0.711034D+01  0.341223D+01 -0.627556D+01  0.799723D+01  0.919913D+01
      5   0.103596D+02 -0.194748D+02  0.874498D+01  0.270886D+02 -0.219633D+01
      6   0.110307D+01  0.264519D+00 -0.643505D+00  0.145367D+01  0.510647D+01
                56            57            58            59            60 
      1  -0.426350D+01  0.442610D+00 -0.651776D+01 -0.176484D+02 -0.377476D+01
      2   0.921900D+01 -0.263580D+01  0.122760D+02  0.296711D+02  0.504751D+01
      3  -0.495550D+01  0.219319D+01 -0.575827D+01 -0.120227D+02 -0.127275D+01
      4  -0.451959D+01  0.379378D+01  0.206888D+01  0.110422D+02 -0.391937D+01
      5   0.216072D+01  0.104886D+01  0.774938D-01 -0.343903D+01  0.167138D+01
      6  -0.456793D+01  0.116667D+02 -0.491268D+01  0.563766D+01  0.931873D+00
                61            62            63            64            65 
      1   0.197536D+01 -0.536677D+00  0.264369D+01  0.392260D+02  0.909233D+01
      2  -0.281161D+01  0.484391D+01 -0.289171D+01 -0.259886D+02 -0.523550D+01
      3   0.836248D+00 -0.430724D+01  0.248021D+00 -0.132374D+02 -0.385683D+01
      4   0.446925D+01 -0.367899D+01  0.972261D+01  0.130972D+02  0.154068D+02
      5   0.168142D+01  0.335490D+01  0.345217D+00  0.275090D+02  0.660392D+01
      6   0.129789D+02 -0.278469D+01 -0.129335D+02  0.503406D+01  0.655846D+01
                66            67            68            69            70 
      1   0.124788D+02  0.587362D+01  0.500687D+00 -0.678378D+00  0.188398D+02
      2  -0.118046D+02 -0.113546D+01  0.571914D+01  0.160633D-01 -0.172187D+02
      3  -0.674227D+00 -0.473816D+01 -0.621983D+01  0.662315D+00 -0.162110D+01
      4   0.647537D+01  0.167585D+02  0.171782D+02  0.109391D+02  0.911222D+01
      5   0.278857D+02  0.848353D+01  0.125985D+02  0.114052D+02  0.282842D+02
      6   0.502493D+01  0.473959D+01  0.891139D+01  0.113707D+02  0.511996D+01
                71            72            73            74            75 
      1   0.357940D+01  0.103490D+01  0.975004D+00 -0.234257D+00  0.201924D+00
      2  -0.419615D+01 -0.148320D+02 -0.396924D+01  0.128909D+00  0.135358D+01
      3   0.616755D+00  0.137971D+02  0.299424D+01  0.105348D+00 -0.155551D+01
      4   0.110067D+02  0.743419D+01  0.512156D+00  0.139439D+01 -0.115602D+01
      5   0.942994D+01  0.344941D+02 -0.223416D+01 -0.305180D+00  0.601434D+01
      6   0.123892D+02  0.891087D+01 -0.121177D+01 -0.732872D+00  0.927592D+00
                76            77            78            79            80 
      1   0.802491D-01 -0.398836D+01 -0.434391D+00  0.459538D+00  0.152156D+01
      2   0.194721D+00  0.131096D+01 -0.148236D+01  0.187935D+01 -0.213085D+01
      3  -0.274970D+00  0.267740D+01  0.191675D+01 -0.233888D+01  0.609289D+00
      4   0.172382D+01 -0.307779D+00 -0.497453D+00 -0.592917D+00 -0.793926D-01
      5  -0.952686D-02 -0.958658D+00 -0.570596D+00  0.443797D+01  0.285470D+00
      6  -0.531585D+00 -0.254235D+00  0.542081D+01  0.248703D+00  0.408188D+01
                81            82            83            84            85 
      1  -0.148118D+02  0.108844D+01  0.222440D+01  0.277765D+01  0.272495D+01
      2  -0.135573D+02 -0.385162D+01 -0.869654D+00  0.939068D-01 -0.153289D+01
      3   0.283691D+02  0.276318D+01 -0.135475D+01 -0.287156D+01 -0.119206D+01
      4   0.807648D+00  0.210841D+01  0.665393D+00  0.991467D-01  0.104971D+01
      5  -0.312943D+01  0.868618D+00  0.210720D+00  0.434205D+01  0.134846D+00
      6  -0.701262D+01  0.532185D-01 -0.349774D+00 -0.347961D+00 -0.232747D+00
                86            87            88            89            90 
      1  -0.452375D+01 -0.135313D+01  0.435171D+01 -0.631381D+00 -0.160881D+02
      2   0.129387D+01 -0.137278D+01 -0.156915D+01 -0.231361D+01 -0.144251D+02
      3   0.322988D+01  0.272591D+01 -0.278255D+01  0.294499D+01  0.305133D+02
      4  -0.345984D+00  0.216329D+01  0.396999D+00  0.304477D+01  0.224735D+01
      5   0.233020D+01  0.193665D+01  0.306934D+01  0.167554D+01  0.167189D+02
      6   0.172121D+01  0.625455D+01  0.341784D-01  0.394800D+01  0.161432D+00
                91            92            93            94            95 
      1   0.356828D+02  0.787238D+01 -0.117964D+02  0.955952D+01  0.463214D+01
      2  -0.204509D+02 -0.396910D+01  0.876464D+01 -0.428809D+01 -0.987508D+00
      3  -0.152319D+02 -0.390328D+01  0.303172D+01 -0.527143D+01 -0.364464D+01
      4   0.107545D+02  0.745084D+01 -0.438610D+01  0.100915D+02  0.599363D+01
      5  -0.234905D+02 -0.599561D+01  0.149476D+02 -0.849764D+01 -0.541242D+01
      6  -0.529179D+01 -0.331906D+01  0.299129D+01 -0.405565D+01 -0.281727D+01
                96            97            98            99           100 
      1  -0.380876D+01 -0.144651D+01 -0.115324D-01  0.244957D+01 -0.209715D+01
      2   0.273478D+01  0.348550D+01  0.763768D+00 -0.411680D+01  0.807605D+01
      3   0.107398D+01 -0.203899D+01 -0.752236D+00  0.166722D+01 -0.597890D+01
      4  -0.423376D+01 -0.100266D+01 -0.119766D+01  0.154581D+01 -0.117463D+02
      5   0.583193D+01  0.759711D+01  0.195776D+01 -0.797999D+01  0.344790D+01
      6   0.318032D+01  0.129619D+01  0.156812D+01 -0.176442D+01 -0.688628D+01
               101           102           103           104           105 
      1   0.694003D+01 -0.199871D+01  0.432541D+01 -0.109786D+02  0.339224D+01
      2  -0.144282D+02  0.392812D+01 -0.960568D+01  0.201139D+02 -0.612939D+01
      3   0.748814D+01 -0.192941D+01  0.528027D+01 -0.913532D+01  0.273715D+01
      4   0.155275D+02 -0.618843D+01  0.124339D+02 -0.124658D+02  0.494332D+01
      5  -0.324346D+01  0.371505D+01 -0.151895D+01  0.273380D+01 -0.173770D+01
      6   0.811214D+01 -0.731427D+01  0.611010D+01 -0.909843D+01  0.765967D+01
               106           107           108           109           110 
      1  -0.325744D+01  0.676338D+01 -0.541592D+01 -0.156006D+01  0.191600D+01
      2   0.457197D+01 -0.950239D+01  0.469368D+01  0.202477D+01 -0.286320D+01
      3  -0.131453D+01  0.273901D+01  0.722242D+00 -0.464717D+00  0.947198D+00
      4  -0.801842D+01  0.768744D+01 -0.659568D+01 -0.158689D+01  0.439944D+01
      5   0.372507D+01 -0.317507D+01  0.336552D+01 -0.128113D+01  0.102196D+01
      6  -0.770874D+01  0.113326D+02 -0.939552D+01  0.184988D+01 -0.316019D+01
               111           112           113           114           115 
      1   0.151489D+01  0.670703D+00 -0.399759D+01 -0.245852D+01  0.127646D+01
      2  -0.135073D+01 -0.114081D+01  0.539239D+01  0.352636D+01 -0.118635D+01
      3  -0.164159D+00  0.470111D+00 -0.139481D+01 -0.106784D+01 -0.901059D-01
      4   0.219750D+01  0.355252D+01 -0.172704D+01 -0.214410D+01  0.469921D+01
      5   0.257710D+01  0.270340D+00 -0.116772D+01 -0.988489D+00  0.248183D+01
      6  -0.503294D+01 -0.238493D+01  0.406036D+01  0.668970D+01 -0.523763D+01
               116           117           118           119           120 
      1  -0.772679D+01 -0.949559D+01  0.511783D+02 -0.109339D+02  0.157880D+02
      2   0.849078D+01  0.211222D+01 -0.280175D+02  0.573503D+01 -0.944323D+01
      3  -0.763990D+00  0.738338D+01 -0.231608D+02  0.519886D+01 -0.634473D+01
      4  -0.354565D+01 -0.404306D+01 -0.107990D+02  0.102841D+02 -0.359048D+01
      5  -0.164507D+01 -0.361012D+01  0.186596D+02 -0.424892D+01  0.152782D+02
      6   0.109750D+02  0.234061D+02 -0.320010D+00  0.744087D+00 -0.747707D-01
               121           122           123           124           125 
      1  -0.212963D+02  0.750206D+01 -0.485216D+01  0.246676D+02 -0.360621D+01
      2   0.114722D+02 -0.185734D+01  0.297788D+01 -0.150420D+02  0.235540D+01
      3   0.982409D+01 -0.564471D+01  0.187428D+01 -0.962563D+01  0.125081D+01
      4   0.122214D+02 -0.754755D+01  0.566306D+01 -0.470218D+01  0.754722D+01
      5  -0.677712D+01  0.585262D+01 -0.790856D+01  0.185539D+02 -0.548273D+01
      6   0.142308D+01 -0.152658D+01  0.180919D+01 -0.682506D+00  0.218056D+01
               126           127           128           129           130 
      1   0.113884D+02  0.831595D+01 -0.244703D+01 -0.576737D+01 -0.589744D+01
      2  -0.104052D+02 -0.703369D+01  0.168691D+01  0.484494D+01  0.393191D+01
      3  -0.983191D+00 -0.128226D+01  0.760117D+00  0.922431D+00  0.196553D+01
      4  -0.477637D+01 -0.199857D+01  0.242592D+01  0.229256D-01  0.406086D+01
      5   0.129783D+02 -0.728976D+01  0.366616D+00  0.119631D+02  0.210940D+01
      6  -0.128235D+01  0.227015D-01 -0.145916D+00  0.665377D+00 -0.139434D+01
               131           132           133           134           135 
      1   0.149061D+00 -0.107172D+00 -0.129669D+02 -0.881628D+00  0.312248D+01
      2  -0.541205D-01 -0.130819D+01  0.114331D+02 -0.290420D+00 -0.171655D+02
      3  -0.949402D-01  0.141537D+01  0.153384D+01  0.117205D+01  0.140430D+02
      4   0.189484D+00 -0.449540D+01 -0.685507D+00 -0.740609D+01 -0.260490D+01
      5  -0.414700D+01 -0.550992D+01  0.201220D+02 -0.244100D+01 -0.400313D+02
      6   0.133582D+01  0.381051D+01  0.349386D+00  0.439745D+01 -0.172346D+01
               136           137           138           139           140 
      1   0.300934D+01  0.333087D+01  0.234363D+01  0.113037D+02 -0.857264D+00
      2   0.806765D+00  0.725624D+00 -0.103273D+01 -0.280058D+01  0.154887D+02
      3  -0.381611D+01 -0.405650D+01 -0.131089D+01 -0.850312D+01 -0.146314D+02
      4   0.549286D+01  0.945392D+01  0.540468D+00  0.155784D+02  0.401278D+02
      5   0.223944D+01  0.279716D+00  0.246292D+01  0.356028D+00  0.437014D+01
      6   0.241545D+00 -0.477182D-01  0.513733D+00  0.747164D+00  0.206771D+01
               141           142           143           144           145 
      1  -0.868755D+00  0.435402D+01 -0.806046D+00  0.687567D+00  0.132392D+02
      2   0.149784D+01 -0.197365D+01  0.123641D+01 -0.698162D+00  0.850780D+00
      3  -0.629084D+00 -0.238036D+01 -0.430369D+00  0.105954D-01 -0.140900D+02
      4   0.358805D+01  0.123213D+01  0.442856D+01  0.396465D+01 -0.258272D+02
      5   0.655712D+01  0.502106D+01  0.455951D+01 -0.340515D+00  0.895580D+01
      6   0.467482D+01  0.128989D+01  0.521824D+01  0.155256D+01 -0.898900D+01
               146           147           148           149           150 
      1  -0.231577D+01  0.310477D+01 -0.211040D+01 -0.261107D+01  0.145157D+01
      2  -0.946281D+01 -0.448779D-01 -0.669861D+01  0.140046D+02 -0.475717D+01
      3   0.117786D+02 -0.305989D+01  0.880901D+01 -0.113935D+02  0.330560D+01
      4   0.235187D+02 -0.987924D+01  0.180759D+02 -0.191237D+02  0.727988D+01
      5  -0.564612D+01  0.819634D+01 -0.394214D+01  0.558032D+01 -0.450253D+01
      6   0.700314D+01 -0.867192D+01  0.545741D+01 -0.868083D+01  0.794029D+01
               151           152           153           154           155 
      1   0.438301D+01  0.258509D+01 -0.795638D+00 -0.806776D+01 -0.134011D+02
      2  -0.611453D+00 -0.723200D+01  0.931451D+00  0.998780D+01  0.172941D+02
      3  -0.377156D+01  0.464691D+01 -0.135813D+00 -0.192004D+01 -0.389307D+01
      4  -0.119827D+02  0.111795D+02 -0.948872D+01  0.152530D+02  0.771734D+01
      5   0.838475D+01 -0.647778D+01  0.708897D+01 -0.124131D+01 -0.132028D+01
      6  -0.771084D+01  0.101500D+02 -0.762554D+01 -0.689680D+01 -0.491294D+01
               156           157           158           159           160 
      1   0.439495D+01 -0.851954D+01 -0.105169D+02  0.333869D+01  0.450508D+01
      2  -0.329370D+01  0.107547D+02  0.154041D+02 -0.428016D+01 -0.258261D+01
      3  -0.110125D+01 -0.223520D+01 -0.488717D+01  0.941472D+00 -0.192247D+01
      4  -0.469682D+01  0.913069D+01  0.547821D+01 -0.145760D+01 -0.553669D+01
      5   0.169276D+01 -0.610768D+00 -0.180337D+00 -0.229068D+00  0.269549D+01
      6   0.631504D+01 -0.349810D+01 -0.514879D+01  0.570385D+01  0.440188D+01
               161           162           163           164           165 
      1   0.533708D+01 -0.519596D+01 -0.451715D+00 -0.157665D+01 -0.138585D+01
      2  -0.665573D+01  0.305697D+01  0.900442D+00  0.129573D+00  0.100459D+01
      3   0.131865D+01  0.213899D+01 -0.448727D+00  0.144708D+01  0.381256D+00
      4  -0.597332D+00  0.155877D+01 -0.252457D+01  0.542842D+01  0.235548D+01
      5  -0.672796D+00 -0.175990D+01 -0.211137D+01  0.982614D+00  0.493486D+01
      6   0.705043D+01 -0.344883D+01  0.193263D+01 -0.640164D+00 -0.210013D+01
               166           167           168           169           170 
      1  -0.552214D+00 -0.445661D+01 -0.432732D+01 -0.229625D+01 -0.875642D+01
      2  -0.404824D+00  0.510449D+01  0.494888D+01  0.140864D+01  0.984061D+01
      3   0.957038D+00 -0.647882D+00 -0.621555D+00  0.887616D+00 -0.108419D+01
      4   0.407697D+01 -0.277116D+01 -0.262130D+01  0.506734D+01 -0.675832D+01
      5   0.848062D-02 -0.265037D+01 -0.270437D+01  0.579516D+01 -0.610372D+01
      6  -0.660805D+00  0.629905D+01  0.101669D+02 -0.305064D+01  0.145137D+02
               171 
      1  -0.112851D+02
      2  -0.260807D+00
      3   0.115459D+02
      4  -0.702977D+01
      5  -0.156888D+02
      6   0.279365D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 19:59:29 2021, MaxMem=  6442450944 cpu:            5051.7 elap:             633.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32294 -19.26525 -14.44472 -10.43974 -10.34473
 Alpha  occ. eigenvalues --  -10.31094 -10.29091 -10.28362  -1.21227  -1.11927
 Alpha  occ. eigenvalues --   -1.00028  -0.89650  -0.80367  -0.77764  -0.71669
 Alpha  occ. eigenvalues --   -0.67447  -0.59862  -0.59198  -0.57702  -0.57187
 Alpha  occ. eigenvalues --   -0.55053  -0.51225  -0.51031  -0.48383  -0.47670
 Alpha  occ. eigenvalues --   -0.46640  -0.43214  -0.42600  -0.42298  -0.41261
 Alpha  occ. eigenvalues --   -0.39192  -0.33390
 Alpha virt. eigenvalues --    0.06390   0.07070   0.10047   0.10692   0.11337
 Alpha virt. eigenvalues --    0.13175   0.14430   0.15106   0.16134   0.16450
 Alpha virt. eigenvalues --    0.18201   0.18592   0.19558   0.19910   0.20562
 Alpha virt. eigenvalues --    0.20881   0.22238   0.22326   0.23816   0.24055
 Alpha virt. eigenvalues --    0.25646   0.25962   0.27356   0.28021   0.28862
 Alpha virt. eigenvalues --    0.29237   0.29860   0.30728   0.30837   0.32261
 Alpha virt. eigenvalues --    0.33413   0.33889   0.35310   0.36293   0.36607
 Alpha virt. eigenvalues --    0.37630   0.37953   0.38690   0.39518   0.39561
 Alpha virt. eigenvalues --    0.40664   0.41199   0.41886   0.42781   0.43348
 Alpha virt. eigenvalues --    0.43708   0.44186   0.44867   0.45194   0.46077
 Alpha virt. eigenvalues --    0.46910   0.47075   0.47456   0.47703   0.48644
 Alpha virt. eigenvalues --    0.49506   0.50091   0.50674   0.51115   0.52203
 Alpha virt. eigenvalues --    0.53029   0.53704   0.54998   0.55728   0.56632
 Alpha virt. eigenvalues --    0.57074   0.57305   0.57546   0.58653   0.59029
 Alpha virt. eigenvalues --    0.60292   0.61328   0.61491   0.62291   0.63080
 Alpha virt. eigenvalues --    0.63886   0.64570   0.65343   0.65459   0.65815
 Alpha virt. eigenvalues --    0.67108   0.67824   0.68760   0.70089   0.71337
 Alpha virt. eigenvalues --    0.71620   0.71981   0.73131   0.74570   0.75024
 Alpha virt. eigenvalues --    0.76548   0.77176   0.78531   0.79752   0.80424
 Alpha virt. eigenvalues --    0.81193   0.82953   0.83727   0.84781   0.85053
 Alpha virt. eigenvalues --    0.87106   0.89016   0.90106   0.91032   0.95262
 Alpha virt. eigenvalues --    0.95387   0.97879   0.99967   1.00994   1.04626
 Alpha virt. eigenvalues --    1.05942   1.07993   1.09592   1.10951   1.11120
 Alpha virt. eigenvalues --    1.11786   1.13192   1.14725   1.16732   1.18825
 Alpha virt. eigenvalues --    1.19780   1.20450   1.23897   1.25967   1.28952
 Alpha virt. eigenvalues --    1.31662   1.33306   1.34253   1.38442   1.40945
 Alpha virt. eigenvalues --    1.42207   1.42833   1.45567   1.47815   1.49643
 Alpha virt. eigenvalues --    1.52204   1.53952   1.54050   1.58009   1.63792
 Alpha virt. eigenvalues --    1.65373   1.67850   1.69435   1.69991   1.72214
 Alpha virt. eigenvalues --    1.73330   1.77766   1.78256   1.80500   1.80909
 Alpha virt. eigenvalues --    1.85065   1.86105   1.88609   1.90045   1.93231
 Alpha virt. eigenvalues --    1.93605   1.94476   1.97170   1.98507   1.99074
 Alpha virt. eigenvalues --    2.01456   2.06194   2.07249   2.08774   2.09205
 Alpha virt. eigenvalues --    2.10735   2.11616   2.12741   2.14064   2.17644
 Alpha virt. eigenvalues --    2.18534   2.19876   2.21792   2.23048   2.25190
 Alpha virt. eigenvalues --    2.26138   2.27643   2.29917   2.30889   2.35667
 Alpha virt. eigenvalues --    2.35968   2.38393   2.40646   2.42493   2.45016
 Alpha virt. eigenvalues --    2.47510   2.50112   2.52206   2.53797   2.58258
 Alpha virt. eigenvalues --    2.63574   2.66934   2.69757   2.73416   2.75292
 Alpha virt. eigenvalues --    2.77393   2.78308   2.79069   2.88578   2.93653
 Alpha virt. eigenvalues --    2.96124   2.97775   2.99923   3.06185   3.07435
 Alpha virt. eigenvalues --    3.07569   3.11215   3.12438   3.16866   3.18353
 Alpha virt. eigenvalues --    3.22616   3.24510   3.27188   3.30272   3.31999
 Alpha virt. eigenvalues --    3.36781   3.47180   3.51413   3.70090   3.72968
 Alpha virt. eigenvalues --    3.92477   4.03697
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.315026   0.364214  -0.052821  -0.082117   0.020784  -0.051771
     2  C    0.364214   6.113850   0.361272   0.010376  -0.059796   0.308017
     3  C   -0.052821   0.361272   5.536791   0.285933  -0.233677  -0.067887
     4  C   -0.082117   0.010376   0.285933   5.343802  -0.070963   0.027753
     5  O    0.020784  -0.059796  -0.233677  -0.070963   8.487048   0.011434
     6  C   -0.051771   0.308017  -0.067887   0.027753   0.011434   4.260245
     7  N    0.033666  -0.311323  -0.212174  -0.128769   0.033977  -0.015787
     8  O    0.023328  -0.012429  -0.069024  -0.039911   0.065448  -0.000638
     9  H   -0.005418  -0.013374   0.039189  -0.017060   0.024552   0.009869
    10  H   -0.022471   0.256186   0.104221  -0.042053  -0.047654  -0.064055
    11  H   -0.004820   0.010509   0.050654   0.101420   0.095750  -0.000760
    12  H   -0.003199   0.058895   0.169400   0.056050  -0.023582  -0.003413
    13  H   -0.000649   0.043228   0.149121   0.003769   0.000825   0.001861
    14  H   -0.003734   0.116266   0.016934  -0.006166   0.001170   0.187547
    15  H    0.000483   0.148115   0.014121  -0.001450  -0.000887   0.133132
    16  H    0.004963   0.056420  -0.031262   0.003417   0.001021   0.356585
    17  H    0.207701   0.105591   0.014947  -0.005749   0.004130  -0.009572
    18  H    0.359845  -0.023965  -0.075615  -0.035344   0.034440   0.017884
    19  H    0.154291   0.144813   0.015099   0.029880  -0.005805  -0.012922
               7          8          9         10         11         12
     1  C    0.033666   0.023328  -0.005418  -0.022471  -0.004820  -0.003199
     2  C   -0.311323  -0.012429  -0.013374   0.256186   0.010509   0.058895
     3  C   -0.212174  -0.069024   0.039189   0.104221   0.050654   0.169400
     4  C   -0.128769  -0.039911  -0.017060  -0.042053   0.101420   0.056050
     5  O    0.033977   0.065448   0.024552  -0.047654   0.095750  -0.023582
     6  C   -0.015787  -0.000638   0.009869  -0.064055  -0.000760  -0.003413
     7  N    8.136329   0.051008   0.022100   0.026963  -0.006947  -0.282115
     8  O    0.051008   8.540544  -0.016507   0.000875  -0.067649  -0.021893
     9  H    0.022100  -0.016507   0.936463   0.008425  -0.002399  -0.017951
    10  H    0.026963   0.000875   0.008425   0.987262   0.008182   0.000136
    11  H   -0.006947  -0.067649  -0.002399   0.008182   0.704556   0.003778
    12  H   -0.282115  -0.021893  -0.017951   0.000136   0.003778   0.960965
    13  H   -0.236470  -0.013113   0.021174  -0.039798   0.000233   0.041407
    14  H    0.007130   0.000782   0.006256   0.010526  -0.000036  -0.000638
    15  H    0.020448   0.002598  -0.027021  -0.003752   0.000022  -0.001678
    16  H   -0.021057  -0.000512   0.002218  -0.009203  -0.000022   0.005060
    17  H    0.001903   0.000116   0.003653   0.035235  -0.000186  -0.000179
    18  H    0.009301   0.030809   0.012829  -0.038607  -0.005463  -0.001174
    19  H   -0.002604  -0.020589  -0.010319   0.003045   0.000543   0.000289
              13         14         15         16         17         18
     1  C   -0.000649  -0.003734   0.000483   0.004963   0.207701   0.359845
     2  C    0.043228   0.116266   0.148115   0.056420   0.105591  -0.023965
     3  C    0.149121   0.016934   0.014121  -0.031262   0.014947  -0.075615
     4  C    0.003769  -0.006166  -0.001450   0.003417  -0.005749  -0.035344
     5  O    0.000825   0.001170  -0.000887   0.001021   0.004130   0.034440
     6  C    0.001861   0.187547   0.133132   0.356585  -0.009572   0.017884
     7  N   -0.236470   0.007130   0.020448  -0.021057   0.001903   0.009301
     8  O   -0.013113   0.000782   0.002598  -0.000512   0.000116   0.030809
     9  H    0.021174   0.006256  -0.027021   0.002218   0.003653   0.012829
    10  H   -0.039798   0.010526  -0.003752  -0.009203   0.035235  -0.038607
    11  H    0.000233  -0.000036   0.000022  -0.000022  -0.000186  -0.005463
    12  H    0.041407  -0.000638  -0.001678   0.005060  -0.000179  -0.001174
    13  H    0.952162   0.001044  -0.002684  -0.005425  -0.000078  -0.000253
    14  H    0.001044   0.729801  -0.023298  -0.032917   0.025541   0.005608
    15  H   -0.002684  -0.023298   0.724383  -0.068322  -0.014021  -0.003336
    16  H   -0.005425  -0.032917  -0.068322   0.702743  -0.000187  -0.001469
    17  H   -0.000078   0.025541  -0.014021  -0.000187   0.618448   0.003396
    18  H   -0.000253   0.005608  -0.003336  -0.001469   0.003396   0.768179
    19  H   -0.000462  -0.017068   0.013618   0.000327   0.003369  -0.074700
              19
     1  C    0.154291
     2  C    0.144813
     3  C    0.015099
     4  C    0.029880
     5  O   -0.005805
     6  C   -0.012922
     7  N   -0.002604
     8  O   -0.020589
     9  H   -0.010319
    10  H    0.003045
    11  H    0.000543
    12  H    0.000289
    13  H   -0.000462
    14  H   -0.017068
    15  H    0.013618
    16  H    0.000327
    17  H    0.003369
    18  H   -0.074700
    19  H    0.624854
 Mulliken charges:
               1
     1  C    0.742698
     2  C   -1.676865
     3  C   -0.015221
     4  C    0.567185
     5  O   -0.338217
     6  C    0.912478
     7  N   -0.125579
     8  O   -0.453243
     9  H    0.023321
    10  H   -0.173462
    11  H    0.112633
    12  H    0.059843
    13  H    0.084107
    14  H   -0.024745
    15  H    0.089529
    16  H    0.037621
    17  H    0.005942
    18  H    0.017636
    19  H    0.154340
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.920615
     2  C   -1.850327
     3  C    0.008100
     4  C    0.567185
     5  O   -0.225584
     6  C    1.014883
     7  N    0.018372
     8  O   -0.453243
 Electronic spatial extent (au):  <R**2>=           1056.4039
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0154    Y=              0.3822    Z=              1.6161  Tot=              1.6608
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -49.9320   YY=            -49.7911   ZZ=            -50.5634
   XY=             -4.1317   XZ=             -5.0886   YZ=             -2.0647
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.1635   YY=              0.3044   ZZ=             -0.4679
   XY=             -4.1317   XZ=             -5.0886   YZ=             -2.0647
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -21.5725  YYY=              3.8763  ZZZ=              3.0707  XYY=            -12.6496
  XXY=             -0.8257  XXZ=             18.7901  XZZ=             -1.5799  YZZ=              3.6963
  YYZ=              2.9624  XYZ=              6.6093
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -755.0057 YYYY=           -407.2667 ZZZZ=           -178.2490 XXXY=              0.3097
 XXXZ=            -46.3209 YYYX=            -18.5721 YYYZ=             -0.3856 ZZZX=            -12.7922
 ZZZY=             -0.3998 XXYY=           -199.0026 XXZZ=           -157.2346 YYZZ=            -91.7974
 XXYZ=            -16.6211 YYXZ=              0.1362 ZZXY=             -1.1184
 N-N= 4.073083891325D+02 E-N=-1.751309184894D+03  KE= 3.977972651595D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 19:59:30 2021, MaxMem=  6442450944 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.68311807D-02 1.77371470D-01 6.26201715D-01
 Polarizability= 8.22267878D+01 2.49082136D+00 7.41808333D+01
                 3.35194953D-01 1.07135497D+00 6.88385936D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2740   -0.2732        1.4170    1.4175
 2      0.2740    0.2732       -0.6487   -0.6490       -4.0517   -4.0537
 3     -1.4170   -1.4175        6.8612    6.8602        0.6493    0.6490
 4      0.6487    0.6490        0.0000    0.0000       -1.4167   -1.4175
 5     -2.8095   -2.8065        1.4167    1.4175       -0.2737   -0.2732
 6     -0.6493   -0.6490        0.2737    0.2732        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8197    0.8197        4.2525    4.2525
 2      1.9470    1.9470        0.0000    0.0000        4.2525    4.2525
 3      1.9470    1.9470        0.8197    0.8197        0.0000    0.0000
 4      0.8197    0.8197       -1.9470   -1.9470      -12.1612  -12.1612
 5     -4.2525   -4.2525       20.5806   20.5806        1.9470    1.9470
 6     -8.4194   -8.4194        4.2525    4.2525       -0.8197   -0.8197
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2226    0.0000        0.8267    1.0929       -6.2038   -5.6701
 2     -1.0145   -1.0929        2.4941    2.5960       16.7653   16.2149
 3      5.5881    5.6701      -27.3792  -27.4408       -2.8499   -2.5960
 4     -2.6741   -2.5960       -0.0550    0.0000        5.4848    5.6701
 5     11.0741   11.2259       -5.4012   -5.6701        1.1857    1.0929
 6      2.6099    2.5960       -1.2650   -1.0929       -0.0704    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0078    0.0000        8.0154    8.2089        2.9822    3.0102
 2     -8.1883   -8.2089      -16.5711  -16.6192        5.1909    5.4274
 3     -3.0932   -3.0102        7.4690    7.3809       14.8406   16.6192
 4     16.6003   16.6192       -0.0578    0.0000       -2.9110   -3.0102
 5    -12.8587  -12.8083        2.6426    3.0102        8.8869    8.2089
 6    -16.6294  -16.6192       -8.3716   -8.2089       -0.0482    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     14.2010   14.2092       10.5692   10.4527        1.8689    1.6613
 2     40.6062   40.4254       19.9504   19.9510        1.9953    1.6613
 3     40.4503   40.4254       10.7032   10.4527        2.0575    1.7383
 4     -9.1781   -9.4984      -26.5861  -26.2162        8.2672    8.5883
 5     -0.1787    0.0770       14.8819   14.3544       24.3395   26.2162
 6    -22.9093  -22.9427       -0.3597   -0.0770        9.7178    9.4984
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.6218   -5.0904   -0.0006   -0.0004   -0.0002    0.8754
 Low frequencies ---   50.1305   72.6669  167.4949
 Diagonal vibrational polarizability:
       16.2729913      20.1562444      20.7277964
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     50.1283                72.6656               167.4948
 Red. masses --      8.0815                 2.8232                 3.9152
 Frc consts  --      0.0120                 0.0088                 0.0647
 IR Inten    --      1.0562                 0.1631                 0.0120
 RamAct Fr= 1--      1.1113                 0.1226                 0.3863
  Dep-P Fr= 1--      0.7261                 0.7454                 0.5444
  Dep-U Fr= 1--      0.8413                 0.8541                 0.7050
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0015
 Beta2  Fr= 1--      0.1558                 0.0174                 0.0454
 AlphaG Fr= 1--      0.0008                 0.0001                -0.0020
 Gamma2 Fr= 1--      0.0085                 0.0219                -0.1056
 Delta2 Fr= 1--      0.0162                 0.0252                -0.0225
 Raman1 Fr= 1--       4.445                  0.490                  1.545
 ROA1   Fr= 1--       1.333                  2.914                -10.854
 CID1   Fr= 1--       0.300                  5.944                 -7.024
 Raman2 Fr= 1--       1.870                  0.209                  0.545
 ROA2   Fr= 1--       0.074                  0.325                 -2.353
 CID2   Fr= 1--       0.040                  1.551                 -4.320
 Raman3 Fr= 1--       3.740                  0.419                  1.089
 ROA3   Fr= 1--       1.333                  2.914                -10.854
 CID3   Fr= 1--       0.356                  6.959                 -9.963
 RC180  Fr= 1--       0.683                  0.708                  0.410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.14     0.07  -0.02  -0.21     0.26  -0.07   0.05
     2   6     0.01   0.02   0.06    -0.03  -0.05  -0.01     0.09  -0.06   0.01
     3   6     0.02  -0.09  -0.06    -0.01  -0.05  -0.04     0.01  -0.13   0.06
     4   6    -0.02  -0.00  -0.02    -0.02   0.00   0.03    -0.07  -0.00   0.02
     5   8     0.21  -0.33   0.06     0.02   0.11   0.04    -0.20   0.12  -0.03
     6   6     0.01   0.05   0.10    -0.01   0.06   0.22     0.00   0.09  -0.11
     7   7    -0.04  -0.04  -0.23     0.03  -0.03  -0.13     0.02  -0.13   0.07
     8   8    -0.25   0.40  -0.05    -0.06  -0.04   0.09    -0.09   0.12  -0.04
     9   1     0.04  -0.21  -0.05    -0.02  -0.12  -0.04    -0.01  -0.12   0.06
    10   1    -0.06   0.08   0.04    -0.15  -0.19  -0.00     0.15  -0.05   0.02
    11   1     0.13  -0.16   0.08     0.01   0.14   0.09    -0.28   0.29  -0.11
    12   1    -0.05  -0.14  -0.31     0.02  -0.06  -0.14     0.01  -0.13   0.08
    13   1    -0.05   0.07  -0.25     0.06   0.04  -0.13     0.02  -0.14   0.07
    14   1    -0.01   0.10   0.16    -0.05  -0.03   0.20     0.11   0.13  -0.23
    15   1     0.07   0.01   0.12     0.09   0.27   0.19    -0.11   0.15  -0.14
    16   1    -0.03   0.06   0.05    -0.05   0.03   0.42    -0.08   0.08  -0.07
    17   1     0.03   0.05   0.26     0.00  -0.06  -0.13     0.28   0.03   0.13
    18   1     0.05   0.01   0.08     0.02  -0.11  -0.43     0.28  -0.15  -0.01
    19   1     0.19  -0.06   0.17     0.26   0.12  -0.22     0.37  -0.10   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    213.0124               224.7072               260.2661
 Red. masses --      1.0752                 1.2478                 1.5027
 Frc consts  --      0.0287                 0.0371                 0.0600
 IR Inten    --      0.2332                 0.4621                19.4675
 RamAct Fr= 1--      0.1112                 0.0776                 0.2786
  Dep-P Fr= 1--      0.7406                 0.7472                 0.7092
  Dep-U Fr= 1--      0.8510                 0.8553                 0.8299
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0158                 0.0111                 0.0385
 AlphaG Fr= 1--      0.0000                 0.0001                 0.0001
 Gamma2 Fr= 1--     -0.0103                 0.0448                 0.0436
 Delta2 Fr= 1--      0.0049                 0.0266                -0.1155
 Raman1 Fr= 1--       0.445                  0.311                  1.115
 ROA1   Fr= 1--      -0.826                  5.156                  0.493
 CID1   Fr= 1--      -1.857                 16.603                  0.442
 Raman2 Fr= 1--       0.189                  0.133                  0.462
 ROA2   Fr= 1--      -0.286                  0.863                  1.971
 CID2   Fr= 1--      -1.509                  6.500                  4.261
 Raman3 Fr= 1--       0.379                  0.266                  0.925
 ROA3   Fr= 1--      -0.826                  5.156                  0.493
 CID3   Fr= 1--      -2.182                 19.411                  0.533
 RC180  Fr= 1--       0.702                  0.711                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04     0.02  -0.01   0.02    -0.00   0.02   0.01
     2   6    -0.01   0.01   0.00    -0.02   0.00  -0.04    -0.03   0.02  -0.01
     3   6    -0.00   0.01   0.01    -0.02   0.02  -0.05    -0.02   0.01  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.01  -0.03    -0.03   0.00   0.02
     5   8    -0.01  -0.03   0.00     0.06   0.03  -0.01    -0.07  -0.06   0.01
     6   6    -0.01  -0.00  -0.03    -0.01  -0.01  -0.01    -0.03   0.04   0.01
     7   7     0.02   0.02  -0.01    -0.01  -0.01   0.07     0.14   0.01  -0.06
     8   8     0.02  -0.01  -0.00    -0.03  -0.02   0.01     0.01  -0.02  -0.00
     9   1    -0.01  -0.00   0.01    -0.02   0.09  -0.06    -0.07  -0.04  -0.02
    10   1     0.01   0.02   0.01    -0.06   0.03  -0.06    -0.04   0.02  -0.01
    11   1     0.00  -0.05  -0.01     0.07   0.01   0.04    -0.04  -0.12  -0.04
    12   1     0.00   0.02   0.01    -0.06   0.04   0.17    -0.28  -0.02   0.39
    13   1     0.07   0.03  -0.00     0.05  -0.11   0.10     0.81   0.02   0.12
    14   1     0.04  -0.35  -0.38    -0.05   0.17   0.20    -0.04   0.10   0.08
    15   1    -0.25   0.41  -0.15     0.14  -0.25   0.07     0.03  -0.03   0.03
    16   1     0.17  -0.07   0.39    -0.09   0.03  -0.24    -0.06   0.05  -0.07
    17   1    -0.19  -0.01   0.30    -0.23   0.00   0.44     0.03   0.04  -0.01
    18   1    -0.14   0.07  -0.22    -0.16   0.04  -0.37     0.02  -0.00   0.05
    19   1     0.28  -0.04   0.07     0.51  -0.09   0.08    -0.03   0.00   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    267.1170               298.7253               350.5555
 Red. masses --      1.9693                 2.1632                 2.5541
 Frc consts  --      0.0828                 0.1137                 0.1849
 IR Inten    --      5.2500                13.3919                 5.9262
 RamAct Fr= 1--      0.3196                 0.4467                 1.1124
  Dep-P Fr= 1--      0.4981                 0.5890                 0.1282
  Dep-U Fr= 1--      0.6649                 0.7414                 0.2273
 Alpha2 Fr= 1--      0.0016                 0.0013                 0.0182
 Beta2  Fr= 1--      0.0354                 0.0552                 0.0421
 AlphaG Fr= 1--      0.0059                -0.0073                 0.0067
 Gamma2 Fr= 1--     -0.0364                 0.2133                -0.1005
 Delta2 Fr= 1--     -0.0243                 0.1034                 0.0879
 Raman1 Fr= 1--       1.278                  1.787                  4.450
 ROA1   Fr= 1--      -4.270                 23.788                 -6.835
 CID1   Fr= 1--      -3.340                 13.315                 -1.536
 Raman2 Fr= 1--       0.425                  0.662                  0.506
 ROA2   Fr= 1--      -0.679                  4.293                 -3.115
 CID2   Fr= 1--      -1.597                  6.482                 -6.160
 Raman3 Fr= 1--       0.850                  1.325                  1.011
 ROA3   Fr= 1--      -4.270                 23.788                 -6.835
 CID3   Fr= 1--      -5.023                 17.960                 -6.759
 RC180  Fr= 1--       0.330                  0.483                 -0.545
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.07     0.00  -0.06   0.03    -0.13  -0.05  -0.02
     2   6    -0.02  -0.00  -0.04    -0.07  -0.05  -0.00     0.00  -0.07   0.08
     3   6    -0.00  -0.02  -0.09    -0.02   0.01  -0.01     0.06  -0.08   0.06
     4   6     0.01  -0.01  -0.08    -0.02   0.03  -0.03     0.10  -0.01   0.02
     5   8     0.13   0.08  -0.05     0.05  -0.03  -0.01     0.07   0.05   0.01
     6   6    -0.02   0.04   0.05    -0.16   0.11  -0.02    -0.12   0.12  -0.04
     7   7    -0.03  -0.06   0.08     0.19  -0.00   0.05    -0.07  -0.07  -0.04
     8   8    -0.08  -0.02  -0.00    -0.01  -0.04  -0.00     0.13   0.07  -0.04
     9   1     0.03   0.07  -0.10     0.00   0.03  -0.01     0.12  -0.14   0.07
    10   1    -0.09   0.04  -0.06    -0.09  -0.04  -0.01     0.04  -0.11   0.09
    11   1     0.13   0.11   0.07     0.08  -0.11   0.04     0.02   0.17   0.02
    12   1    -0.25  -0.04   0.35     0.64   0.22  -0.26    -0.34  -0.24   0.11
    13   1     0.21  -0.25   0.17    -0.24   0.05  -0.08     0.15  -0.06   0.02
    14   1    -0.02  -0.14  -0.09    -0.06   0.24  -0.04     0.06   0.35  -0.11
    15   1    -0.05   0.31  -0.01    -0.16   0.15  -0.03    -0.21   0.10  -0.06
    16   1     0.03  -0.00   0.32    -0.34   0.12  -0.03    -0.36   0.14  -0.13
    17   1     0.17   0.07  -0.11     0.06   0.01   0.02    -0.26  -0.22   0.02
    18   1     0.12  -0.04   0.38     0.04  -0.10   0.10    -0.23   0.06  -0.16
    19   1    -0.29  -0.12   0.07    -0.04  -0.09   0.04    -0.06   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    386.5719               438.6640               532.8875
 Red. masses --      2.7224                 2.8335                 3.6805
 Frc consts  --      0.2397                 0.3212                 0.6158
 IR Inten    --      5.1256                 2.1896                 9.8305
 RamAct Fr= 1--      1.2470                 0.8066                 4.7914
  Dep-P Fr= 1--      0.6128                 0.4051                 0.1075
  Dep-U Fr= 1--      0.7600                 0.5766                 0.1942
 Alpha2 Fr= 1--      0.0031                 0.0059                 0.0824
 Beta2  Fr= 1--      0.1579                 0.0775                 0.1551
 AlphaG Fr= 1--     -0.0032                 0.0051                 0.0067
 Gamma2 Fr= 1--     -0.2223                -0.2516                 0.1844
 Delta2 Fr= 1--      0.1293                 0.0027                 0.0385
 Raman1 Fr= 1--       4.988                  3.227                 19.165
 ROA1   Fr= 1--     -17.204                -24.071                 18.937
 CID1   Fr= 1--      -3.449                 -7.460                  0.988
 Raman2 Fr= 1--       1.895                  0.930                  1.861
 ROA2   Fr= 1--      -6.369                 -6.061                  4.118
 CID2   Fr= 1--      -3.360                 -6.515                  2.213
 Raman3 Fr= 1--       3.791                  1.861                  3.722
 ROA3   Fr= 1--     -17.204                -24.071                 18.937
 CID3   Fr= 1--      -4.538                -12.938                  5.088
 RC180  Fr= 1--       0.520                  0.153                 -0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.07  -0.00     0.01   0.18  -0.04    -0.00  -0.18   0.00
     2   6    -0.13  -0.05   0.06    -0.01   0.08   0.23     0.12  -0.12   0.09
     3   6    -0.05   0.06   0.02     0.04  -0.05   0.06     0.06   0.10   0.12
     4   6     0.02   0.08  -0.00    -0.03  -0.06  -0.08    -0.04   0.03  -0.09
     5   8     0.07   0.02   0.01     0.07   0.02  -0.07     0.01  -0.01  -0.11
     6   6    -0.15  -0.14  -0.01    -0.05  -0.06  -0.03     0.07   0.05  -0.01
     7   7    -0.08   0.10  -0.04     0.07  -0.06   0.02    -0.03   0.22  -0.03
     8   8     0.09   0.03  -0.03    -0.13  -0.06  -0.01    -0.17  -0.08   0.05
     9   1     0.00   0.05   0.03     0.23  -0.11   0.10     0.22   0.13   0.14
    10   1    -0.14  -0.09   0.07     0.01   0.09   0.22     0.23  -0.23   0.12
    11   1     0.12  -0.09   0.07     0.04   0.11   0.04     0.12  -0.25  -0.06
    12   1    -0.25  -0.01   0.05     0.08  -0.01   0.04    -0.25  -0.01   0.01
    13   1     0.08   0.13   0.00     0.13  -0.03   0.03     0.12   0.35   0.00
    14   1    -0.14  -0.19  -0.08     0.03  -0.08  -0.17     0.24   0.24  -0.09
    15   1    -0.29  -0.21  -0.02    -0.33  -0.25  -0.05     0.01   0.11  -0.04
    16   1    -0.03  -0.14  -0.08     0.13  -0.04  -0.22    -0.15   0.06  -0.03
    17   1     0.37   0.18  -0.07     0.00   0.02  -0.19    -0.07  -0.29   0.01
    18   1     0.33  -0.39   0.02    -0.00   0.05  -0.24    -0.06  -0.07  -0.01
    19   1     0.21   0.01  -0.01     0.06   0.53  -0.11    -0.02  -0.18   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    594.8940               634.9587               773.5657
 Red. masses --      1.1944                 3.2124                 4.1443
 Frc consts  --      0.2490                 0.7631                 1.4611
 IR Inten    --     84.2038                47.7331                18.7576
 RamAct Fr= 1--      0.9232                 3.8181                 1.6905
  Dep-P Fr= 1--      0.6303                 0.0504                 0.2788
  Dep-U Fr= 1--      0.7732                 0.0960                 0.4361
 Alpha2 Fr= 1--      0.0020                 0.0753                 0.0185
 Beta2  Fr= 1--      0.1190                 0.0611                 0.1229
 AlphaG Fr= 1--     -0.0113                 0.0091                 0.0083
 Gamma2 Fr= 1--     -0.0066                -0.0815                 0.0181
 Delta2 Fr= 1--      0.0494                -0.0770                -0.4094
 Raman1 Fr= 1--       3.693                 15.272                  6.762
 ROA1   Fr= 1--       0.946                -10.290                -11.363
 CID1   Fr= 1--       0.256                 -0.674                 -1.681
 Raman2 Fr= 1--       1.428                  0.733                  1.474
 ROA2   Fr= 1--      -0.553                 -1.341                  3.709
 CID2   Fr= 1--      -0.388                 -1.830                  2.516
 Raman3 Fr= 1--       2.855                  1.466                  2.949
 ROA3   Fr= 1--       0.946                -10.290                -11.363
 CID3   Fr= 1--       0.331                 -7.019                 -3.854
 RC180  Fr= 1--       0.546                 -0.808                 -0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.02  -0.00     0.01  -0.06   0.02
     2   6    -0.01  -0.00  -0.02    -0.03   0.00   0.01     0.04  -0.03   0.13
     3   6     0.01   0.03   0.00     0.16   0.02  -0.14    -0.05   0.00  -0.14
     4   6     0.03  -0.06   0.00     0.19   0.07   0.01    -0.18   0.38  -0.06
     5   8     0.02  -0.06  -0.01    -0.11  -0.05  -0.10     0.02  -0.10   0.07
     6   6    -0.02  -0.01   0.00    -0.08  -0.02   0.01     0.11   0.04  -0.00
     7   7     0.01   0.06   0.00    -0.01  -0.02   0.01    -0.02  -0.07  -0.01
     8   8    -0.01  -0.01   0.02    -0.02   0.04   0.23     0.07  -0.09   0.01
     9   1     0.00   0.06   0.00     0.20   0.02  -0.13     0.01  -0.12  -0.12
    10   1    -0.02  -0.02  -0.01    -0.16   0.05  -0.01    -0.05   0.09   0.10
    11   1    -0.42   0.87  -0.19    -0.05  -0.29  -0.67    -0.20   0.36  -0.05
    12   1     0.00   0.05   0.01    -0.13  -0.09   0.06    -0.09   0.00   0.13
    13   1     0.03   0.07   0.01    -0.19  -0.28  -0.00    -0.18  -0.41  -0.01
    14   1    -0.02  -0.00   0.01    -0.02  -0.00  -0.06     0.23   0.08  -0.13
    15   1    -0.01   0.00   0.00    -0.19  -0.04  -0.01    -0.08  -0.02  -0.03
    16   1    -0.03  -0.01   0.00    -0.09  -0.02  -0.03     0.11   0.05  -0.09
    17   1     0.02   0.03   0.02     0.03   0.05  -0.03    -0.02  -0.28  -0.15
    18   1     0.02  -0.03   0.02     0.02  -0.04  -0.01    -0.04  -0.05  -0.11
    19   1     0.02  -0.05   0.01     0.01   0.06  -0.01    -0.04   0.22  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    811.6935               847.8006               901.8288
 Red. masses --      2.6940                 1.8070                 2.3520
 Frc consts  --      1.0458                 0.7652                 1.1270
 IR Inten    --     76.6544                55.6570                49.2094
 RamAct Fr= 1--      4.7061                 5.4709                 1.8672
  Dep-P Fr= 1--      0.0269                 0.1052                 0.5958
  Dep-U Fr= 1--      0.0524                 0.1903                 0.7467
 Alpha2 Fr= 1--      0.0982                 0.0946                 0.0053
 Beta2  Fr= 1--      0.0411                 0.1735                 0.2324
 AlphaG Fr= 1--      0.0328                -0.0257                 0.0226
 Gamma2 Fr= 1--      0.2118                 0.5262                -0.1735
 Delta2 Fr= 1--     -0.0938                 0.6920                -0.6644
 Raman1 Fr= 1--      18.824                 21.884                  7.469
 ROA1   Fr= 1--      17.328                 72.660                -37.914
 CID1   Fr= 1--       0.921                  3.320                 -5.076
 Raman2 Fr= 1--       0.493                  2.082                  2.789
 ROA2   Fr= 1--       5.833                  7.093                  1.152
 CID2   Fr= 1--      11.826                  3.406                  0.413
 Raman3 Fr= 1--       0.986                  4.165                  5.577
 ROA3   Fr= 1--      17.328                 72.660                -37.914
 CID3   Fr= 1--      17.567                 17.447                 -6.798
 RC180  Fr= 1--      -0.895                 -0.619                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.01    -0.01  -0.11   0.02    -0.05  -0.12   0.00
     2   6     0.01   0.00   0.04    -0.01   0.03   0.09    -0.12   0.08   0.03
     3   6     0.12   0.02  -0.16    -0.06   0.06  -0.11    -0.11  -0.07   0.06
     4   6    -0.02  -0.15  -0.00     0.06  -0.10   0.03     0.03  -0.04   0.05
     5   8    -0.07   0.02   0.16    -0.02   0.02   0.01     0.03   0.01  -0.10
     6   6    -0.01  -0.01   0.02     0.07   0.03   0.02     0.10   0.11  -0.04
     7   7     0.09   0.15   0.01    -0.08  -0.04   0.00     0.10   0.06   0.01
     8   8    -0.03   0.00  -0.09     0.01   0.04   0.00     0.02   0.03   0.03
     9   1     0.12   0.02  -0.16    -0.10   0.09  -0.12    -0.19  -0.16   0.06
    10   1    -0.16   0.08   0.00    -0.19   0.12   0.04    -0.09   0.16   0.02
    11   1    -0.02  -0.05   0.32     0.01  -0.06  -0.04     0.04  -0.01  -0.09
    12   1    -0.34  -0.16   0.18     0.40   0.50  -0.01    -0.27  -0.28   0.07
    13   1    -0.47  -0.42  -0.04     0.36   0.13   0.08    -0.35  -0.18  -0.06
    14   1     0.14   0.07  -0.12     0.22   0.07  -0.16    -0.09  -0.12   0.04
    15   1    -0.20  -0.03  -0.01    -0.17  -0.05  -0.02     0.16  -0.06  -0.00
    16   1    -0.06   0.01  -0.07     0.11   0.05  -0.12     0.45   0.10  -0.09
    17   1    -0.00  -0.10  -0.06     0.01  -0.21  -0.12     0.05  -0.03  -0.07
    18   1    -0.01  -0.05  -0.05    -0.01  -0.21  -0.11     0.02  -0.40  -0.13
    19   1    -0.01   0.09  -0.02    -0.00   0.12  -0.03     0.06   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    935.1830               951.9159               978.9412
 Red. masses --      1.4299                 1.6141                 1.5653
 Frc consts  --      0.7368                 0.8617                 0.8838
 IR Inten    --      6.8719                21.3275                15.1303
 RamAct Fr= 1--      1.7217                 3.4725                 1.9795
  Dep-P Fr= 1--      0.5110                 0.6684                 0.5829
  Dep-U Fr= 1--      0.6764                 0.8012                 0.7365
 Alpha2 Fr= 1--      0.0081                 0.0050                 0.0062
 Beta2  Fr= 1--      0.1941                 0.4637                 0.2430
 AlphaG Fr= 1--     -0.0244                -0.0115                -0.0133
 Gamma2 Fr= 1--      0.9565                 0.4189                -0.2069
 Delta2 Fr= 1--      0.8219                -0.0851                -0.1094
 Raman1 Fr= 1--       6.887                 13.890                  7.918
 ROA1   Fr= 1--     118.124                 37.496                -23.366
 CID1   Fr= 1--      17.153                  2.699                 -2.951
 Raman2 Fr= 1--       2.329                  5.564                  2.916
 ROA2   Fr= 1--      16.381                 10.736                 -4.090
 CID2   Fr= 1--       7.033                  1.929                 -1.403
 Raman3 Fr= 1--       4.658                 11.129                  5.831
 ROA3   Fr= 1--     118.124                 37.496                -23.366
 CID3   Fr= 1--      25.358                  3.369                 -4.007
 RC180  Fr= 1--       0.353                  0.602                  0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.08     0.10   0.01  -0.02    -0.04   0.10  -0.02
     2   6     0.05  -0.06   0.00     0.09  -0.00   0.00    -0.03  -0.09   0.01
     3   6    -0.08  -0.03  -0.03    -0.11  -0.05  -0.03    -0.07  -0.02  -0.01
     4   6     0.01  -0.02   0.03     0.01  -0.02   0.04    -0.00  -0.01   0.03
     5   8     0.01   0.00  -0.04     0.02   0.00  -0.06     0.01   0.00  -0.05
     6   6    -0.02  -0.08  -0.03    -0.06   0.01   0.06     0.11  -0.04   0.04
     7   7     0.01   0.05   0.00     0.02   0.06   0.00     0.02   0.02  -0.00
     8   8     0.01   0.02   0.01     0.02   0.02   0.02     0.01   0.01   0.01
     9   1    -0.22  -0.04  -0.05    -0.28  -0.07  -0.05    -0.20  -0.05  -0.02
    10   1     0.23   0.29  -0.03    -0.08  -0.14   0.00    -0.20  -0.28   0.02
    11   1     0.01  -0.00  -0.04     0.02  -0.00  -0.04     0.02   0.00  -0.01
    12   1    -0.03   0.07   0.06    -0.04   0.07   0.07    -0.05  -0.00   0.04
    13   1    -0.05  -0.04   0.00    -0.10  -0.07  -0.01    -0.09  -0.07  -0.01
    14   1    -0.01   0.12   0.12    -0.05  -0.12  -0.07     0.51   0.28  -0.24
    15   1     0.27   0.24  -0.03    -0.29  -0.22   0.06    -0.23   0.07  -0.04
    16   1    -0.41  -0.10   0.24     0.17   0.02  -0.13    -0.26  -0.00  -0.10
    17   1     0.03  -0.20  -0.19    -0.19  -0.41   0.02     0.06   0.42   0.13
    18   1    -0.03  -0.08  -0.19    -0.11   0.56   0.11     0.08  -0.04   0.11
    19   1     0.02   0.49  -0.02    -0.21  -0.16  -0.01     0.08  -0.11   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1070.9353              1102.7718              1131.3548
 Red. masses --      1.3331                 2.4471                 2.6772
 Frc consts  --      0.9008                 1.7533                 2.0190
 IR Inten    --     12.5682                30.3743                50.2422
 RamAct Fr= 1--      2.9427                 2.2232                 3.4019
  Dep-P Fr= 1--      0.1962                 0.2920                 0.7476
  Dep-U Fr= 1--      0.3281                 0.4520                 0.8556
 Alpha2 Fr= 1--      0.0404                 0.0234                 0.0001
 Beta2  Fr= 1--      0.1609                 0.1675                 0.4851
 AlphaG Fr= 1--     -0.0091                -0.0156                 0.0019
 Gamma2 Fr= 1--     -0.5877                -0.7098                 0.2137
 Delta2 Fr= 1--     -0.3500                -1.0426                 1.0977
 Raman1 Fr= 1--      11.771                  8.893                 13.608
 ROA1   Fr= 1--     -67.615               -101.508                 55.645
 CID1   Fr= 1--      -5.744                -11.415                  4.089
 Raman2 Fr= 1--       1.931                  2.010                  5.821
 ROA2   Fr= 1--     -11.304                 -8.695                 -3.651
 CID2   Fr= 1--      -5.855                 -4.326                 -0.627
 Raman3 Fr= 1--       3.862                  4.020                 11.643
 ROA3   Fr= 1--     -67.615               -101.508                 55.645
 CID3   Fr= 1--     -17.510                -25.254                  4.779
 RC180  Fr= 1--      -0.344                 -0.096                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.05    -0.03  -0.07  -0.07     0.06   0.06   0.02
     2   6     0.00  -0.01   0.07     0.10   0.13   0.06    -0.08  -0.13   0.08
     3   6    -0.03  -0.08  -0.05    -0.05   0.21   0.03    -0.15   0.17   0.01
     4   6     0.02  -0.00  -0.01    -0.02  -0.04   0.05     0.11  -0.05  -0.09
     5   8    -0.00   0.00   0.02     0.00  -0.01  -0.06    -0.01   0.03   0.11
     6   6    -0.01   0.02  -0.05    -0.06  -0.07   0.03     0.04   0.03  -0.08
     7   7    -0.03   0.08  -0.00     0.03  -0.11  -0.07     0.05  -0.08  -0.04
     8   8     0.00   0.00   0.00     0.00   0.01   0.01    -0.02   0.00  -0.02
     9   1     0.22  -0.44   0.02    -0.09  -0.02   0.04     0.10   0.29   0.04
    10   1     0.26  -0.21   0.13     0.47   0.06   0.12     0.04  -0.40   0.14
    11   1     0.00  -0.03  -0.08     0.01   0.04   0.21    -0.01  -0.07  -0.43
    12   1     0.14   0.49   0.18    -0.05   0.01   0.13    -0.12  -0.21   0.01
    13   1     0.03  -0.25   0.05    -0.18  -0.53  -0.07    -0.13  -0.14  -0.08
    14   1    -0.18  -0.07   0.12     0.03   0.09   0.04    -0.10  -0.02   0.09
    15   1     0.22   0.03  -0.01    -0.07   0.06   0.01     0.33   0.07  -0.03
    16   1     0.06  -0.01   0.09    -0.23  -0.06   0.08     0.13   0.00   0.09
    17   1     0.00   0.21   0.11     0.01   0.12   0.09    -0.08  -0.15   0.04
    18   1     0.04  -0.01   0.10     0.06  -0.14   0.08    -0.03   0.27   0.05
    19   1     0.04  -0.20   0.01     0.07  -0.33  -0.01    -0.10   0.06   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1177.2094              1195.9796              1249.1926
 Red. masses --      2.1025                 1.7403                 1.7444
 Frc consts  --      1.7167                 1.4666                 1.6038
 IR Inten    --    109.3359                 5.1116                 4.9430
 RamAct Fr= 1--      5.2465                 1.7085                 2.0543
  Dep-P Fr= 1--      0.7306                 0.6572                 0.2088
  Dep-U Fr= 1--      0.8444                 0.7932                 0.3454
 Alpha2 Fr= 1--      0.0017                 0.0028                 0.0273
 Beta2  Fr= 1--      0.7383                 0.2258                 0.1183
 AlphaG Fr= 1--     -0.0060                -0.0016                 0.0293
 Gamma2 Fr= 1--      1.1960                 0.3873                 0.3806
 Delta2 Fr= 1--      0.3699                 0.2580                 0.0653
 Raman1 Fr= 1--      20.986                  6.834                  8.217
 ROA1   Fr= 1--     126.649                 45.435                 38.625
 CID1   Fr= 1--       6.035                  6.649                  4.700
 Raman2 Fr= 1--       8.860                  2.710                  1.419
 ROA2   Fr= 1--      25.745                  7.230                  8.612
 CID2   Fr= 1--       2.906                  2.668                  6.069
 Raman3 Fr= 1--      17.720                  5.420                  2.838
 ROA3   Fr= 1--     126.649                 45.435                 38.625
 CID3   Fr= 1--       7.147                  8.382                 13.609
 RC180  Fr= 1--       0.689                  0.586                 -0.309
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.05    -0.10   0.03   0.06    -0.04   0.01  -0.08
     2   6    -0.07  -0.12   0.02     0.14  -0.11  -0.05     0.07  -0.01   0.16
     3   6     0.10   0.09  -0.03    -0.02   0.03  -0.01    -0.01  -0.05  -0.13
     4   6    -0.07  -0.03   0.10     0.01   0.00  -0.01    -0.02  -0.00   0.03
     5   8    -0.02  -0.03  -0.13     0.00   0.01   0.01    -0.01  -0.01  -0.02
     6   6     0.01   0.05  -0.06    -0.06   0.09   0.06    -0.03   0.01  -0.06
     7   7    -0.02  -0.02  -0.02     0.00  -0.01  -0.01     0.01  -0.00   0.05
     8   8     0.03   0.03   0.04    -0.01  -0.00  -0.01     0.01   0.01   0.01
     9   1     0.10   0.00  -0.03    -0.23   0.12  -0.06    -0.25   0.45  -0.20
    10   1    -0.14  -0.32   0.04     0.30  -0.24  -0.01     0.02   0.11   0.13
    11   1    -0.00   0.12   0.74     0.00  -0.02  -0.08    -0.01   0.02   0.11
    12   1     0.05   0.09   0.01    -0.00   0.02   0.02    -0.07  -0.32  -0.15
    13   1     0.02  -0.16   0.00    -0.02  -0.06  -0.01     0.05   0.43   0.00
    14   1    -0.15  -0.08   0.05    -0.17  -0.23  -0.06    -0.16  -0.02   0.12
    15   1     0.22  -0.02  -0.01    -0.21  -0.29   0.09     0.19   0.01  -0.01
    16   1     0.20   0.03   0.03     0.33   0.09  -0.13     0.04  -0.03   0.14
    17   1    -0.02  -0.09  -0.02     0.15   0.27  -0.09    -0.02   0.22   0.13
    18   1    -0.04   0.12  -0.03     0.03  -0.34  -0.08     0.08  -0.04   0.16
    19   1    -0.06   0.18   0.01     0.20   0.29   0.03     0.08  -0.25  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1311.3301              1339.4710              1356.4495
 Red. masses --      1.3467                 2.3217                 1.4342
 Frc consts  --      1.3644                 2.4543                 1.5547
 IR Inten    --      5.9385                28.3940                 0.2427
 RamAct Fr= 1--      0.7935                 2.4236                 3.6376
  Dep-P Fr= 1--      0.6683                 0.7481                 0.7447
  Dep-U Fr= 1--      0.8012                 0.8559                 0.8537
 Alpha2 Fr= 1--      0.0012                 0.0001                 0.0003
 Beta2  Fr= 1--      0.1060                 0.3457                 0.5175
 AlphaG Fr= 1--     -0.0059                -0.0008                 0.0047
 Gamma2 Fr= 1--     -0.4954                 0.0983                -0.5049
 Delta2 Fr= 1--     -0.2672                -0.3810                 0.1079
 Raman1 Fr= 1--       3.174                  9.694                 14.550
 ROA1   Fr= 1--     -56.105                 -2.757                -45.017
 CID1   Fr= 1--     -17.677                 -0.284                 -3.094
 Raman2 Fr= 1--       1.271                  4.149                  6.211
 ROA2   Fr= 1--      -9.751                  5.407                -12.981
 CID2   Fr= 1--      -7.669                  1.303                 -2.090
 Raman3 Fr= 1--       2.543                  8.298                 12.421
 ROA3   Fr= 1--     -56.105                 -2.757                -45.017
 CID3   Fr= 1--     -22.063                 -0.332                 -3.624
 RC180  Fr= 1--       0.602                  0.712                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01    -0.02  -0.00  -0.02     0.03   0.01  -0.06
     2   6    -0.02   0.00  -0.04     0.05  -0.02   0.01    -0.09  -0.14   0.02
     3   6    -0.12  -0.04  -0.07    -0.07  -0.04   0.07     0.04   0.03   0.01
     4   6     0.00  -0.01  -0.00     0.18   0.04  -0.23     0.00  -0.00   0.01
     5   8    -0.02  -0.01  -0.02    -0.08  -0.04   0.02     0.00   0.00   0.00
     6   6     0.01   0.00   0.05    -0.00   0.00  -0.01     0.01   0.04   0.04
     7   7     0.02   0.00   0.02     0.01   0.01  -0.02    -0.01   0.00  -0.01
     8   8     0.03   0.02   0.04     0.00   0.01   0.07    -0.01  -0.00  -0.01
     9   1     0.77   0.18   0.06    -0.16   0.02   0.05    -0.17  -0.07  -0.01
    10   1     0.43   0.03   0.01    -0.29   0.25  -0.08     0.45   0.76  -0.06
    11   1    -0.01   0.03   0.22    -0.05   0.12   0.80     0.00  -0.01  -0.03
    12   1    -0.05  -0.13  -0.04     0.00   0.12   0.08     0.02   0.05   0.01
    13   1    -0.00   0.19  -0.01    -0.02  -0.08  -0.01     0.01  -0.06   0.01
    14   1     0.11  -0.00  -0.09    -0.03  -0.02   0.01     0.08  -0.05  -0.12
    15   1    -0.12  -0.03   0.03    -0.00  -0.02  -0.00    -0.04  -0.09   0.05
    16   1     0.00   0.02  -0.10    -0.02  -0.01   0.03     0.12   0.05  -0.09
    17   1     0.00  -0.03  -0.03     0.02   0.07   0.01    -0.06   0.09   0.15
    18   1    -0.01  -0.02  -0.04     0.01   0.02   0.07     0.02   0.16   0.10
    19   1    -0.01  -0.00   0.01     0.08  -0.01  -0.01    -0.07  -0.07  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8691              1401.0068              1404.2635
 Red. masses --      1.3481                 1.2831                 1.2425
 Frc consts  --      1.5035                 1.4839                 1.4435
 IR Inten    --      4.7605                 6.6998                 2.2518
 RamAct Fr= 1--      5.7195                 3.7156                 1.3111
  Dep-P Fr= 1--      0.7446                 0.6881                 0.7278
  Dep-U Fr= 1--      0.8536                 0.8152                 0.8425
 Alpha2 Fr= 1--      0.0005                 0.0040                 0.0005
 Beta2  Fr= 1--      0.8137                 0.5048                 0.1841
 AlphaG Fr= 1--     -0.0027                -0.0078                 0.0034
 Gamma2 Fr= 1--      0.1183                -0.0155                -0.1505
 Delta2 Fr= 1--     -0.3193                 0.4029                -0.0799
 Raman1 Fr= 1--      22.878                 14.862                  5.245
 ROA1   Fr= 1--       1.140                 11.408                -17.007
 CID1   Fr= 1--       0.050                  0.768                 -3.243
 Raman2 Fr= 1--       9.765                  6.058                  2.209
 ROA2   Fr= 1--       5.394                 -3.595                 -2.973
 CID2   Fr= 1--       0.552                 -0.593                 -1.346
 Raman3 Fr= 1--      19.529                 12.116                  4.419
 ROA3   Fr= 1--       1.140                 11.408                -17.007
 CID3   Fr= 1--       0.058                  0.942                 -3.849
 RC180  Fr= 1--       0.707                  0.630                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.03     0.02   0.01   0.00    -0.00  -0.08  -0.01
     2   6    -0.10   0.07  -0.01    -0.05   0.02   0.00    -0.01   0.03  -0.00
     3   6     0.05  -0.01  -0.05     0.03  -0.09   0.04     0.01  -0.05   0.02
     4   6     0.05   0.02  -0.06    -0.01   0.01   0.00    -0.01   0.00   0.00
     5   8    -0.02  -0.01   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.02   0.02     0.08   0.02  -0.01    -0.08  -0.04   0.02
     7   7    -0.00   0.00   0.04    -0.01   0.01  -0.06    -0.00   0.01  -0.03
     8   8    -0.01  -0.00   0.01     0.01   0.00   0.00     0.00   0.00   0.00
     9   1    -0.46  -0.20  -0.12    -0.09   0.71  -0.02    -0.02   0.37  -0.01
    10   1     0.59  -0.42   0.15     0.18  -0.08   0.05     0.05  -0.09   0.02
    11   1    -0.01   0.03   0.18     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    12   1     0.01  -0.15  -0.11     0.04   0.26   0.12     0.02   0.14   0.06
    13   1     0.06   0.16   0.03    -0.03  -0.26  -0.02    -0.02  -0.13  -0.01
    14   1     0.07   0.06   0.01    -0.17  -0.17   0.15     0.26   0.28  -0.16
    15   1    -0.07   0.09  -0.01    -0.27  -0.09  -0.05     0.31   0.21   0.04
    16   1    -0.01   0.01  -0.09    -0.30   0.02   0.06     0.39  -0.03  -0.13
    17   1    -0.01  -0.08  -0.01    -0.04  -0.04   0.04     0.11   0.25   0.13
    18   1    -0.04   0.02  -0.09     0.01  -0.03  -0.04    -0.11   0.27   0.09
    19   1    -0.10   0.04   0.00    -0.09  -0.02  -0.00     0.00   0.33  -0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2318              1488.7476              1491.3000
 Red. masses --      1.2303                 1.0516                 1.0438
 Frc consts  --      1.4786                 1.3732                 1.3678
 IR Inten    --      8.3493                 1.5447                 3.2968
 RamAct Fr= 1--      0.3247                 1.3824                 6.4892
  Dep-P Fr= 1--      0.6628                 0.7500                 0.7482
  Dep-U Fr= 1--      0.7972                 0.8571                 0.8560
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0431                 0.1975                 0.9258
 AlphaG Fr= 1--     -0.0007                -0.0000                 0.0011
 Gamma2 Fr= 1--      0.0557                -0.1196                -0.3967
 Delta2 Fr= 1--      0.0859                -0.0995                 0.5216
 Raman1 Fr= 1--       1.299                  5.530                 25.957
 ROA1   Fr= 1--       8.091                -14.661                -21.392
 CID1   Fr= 1--       6.229                 -2.651                 -0.824
 Raman2 Fr= 1--       0.518                  2.370                 11.109
 ROA2   Fr= 1--       0.649                 -2.073                -13.694
 CID2   Fr= 1--       1.253                 -0.875                 -1.233
 Raman3 Fr= 1--       1.036                  4.740                 22.219
 ROA3   Fr= 1--       8.091                -14.661                -21.392
 CID3   Fr= 1--       7.813                 -3.093                 -0.963
 RC180  Fr= 1--       0.594                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.11  -0.02    -0.04   0.01  -0.01     0.01  -0.00   0.03
     2   6     0.01   0.01   0.00    -0.02  -0.02  -0.00     0.01  -0.02  -0.00
     3   6    -0.02   0.03  -0.02     0.01   0.00   0.00    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.06   0.02  -0.02     0.02  -0.03   0.00     0.00  -0.02  -0.04
     7   7     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   1     0.06  -0.19   0.00     0.01   0.02   0.00     0.02  -0.01   0.00
    10   1    -0.03  -0.02   0.00     0.04   0.03  -0.00     0.02   0.08  -0.02
    11   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    12   1    -0.02  -0.09  -0.04     0.01   0.01  -0.00    -0.00   0.00   0.00
    13   1     0.01   0.09   0.01    -0.00  -0.02   0.00    -0.00   0.01  -0.00
    14   1    -0.19  -0.18   0.15    -0.14   0.11   0.32    -0.01   0.43   0.37
    15   1    -0.25  -0.10  -0.05    -0.26   0.37  -0.12    -0.37  -0.03  -0.08
    16   1    -0.28   0.02   0.08     0.16   0.01  -0.23     0.33  -0.08   0.31
    17   1     0.14   0.37   0.21     0.00  -0.21  -0.27     0.19   0.20  -0.09
    18   1    -0.15   0.40   0.18     0.06   0.14   0.37    -0.17   0.09  -0.35
    19   1     0.03   0.49  -0.13     0.53   0.00   0.04    -0.20  -0.17   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.2665              1514.3282              1660.1181
 Red. masses --      1.0506                 1.0503                 1.0917
 Frc consts  --      1.4044                 1.4190                 1.7726
 IR Inten    --      4.3139                12.1844                35.1487
 RamAct Fr= 1--      6.1844                 0.3178                 2.4436
  Dep-P Fr= 1--      0.7499                 0.7344                 0.5923
  Dep-U Fr= 1--      0.8571                 0.8469                 0.7440
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0072
 Beta2  Fr= 1--      0.8834                 0.0449                 0.3030
 AlphaG Fr= 1--     -0.0001                -0.0005                -0.0083
 Gamma2 Fr= 1--     -0.2997                 0.4483                -0.2030
 Delta2 Fr= 1--     -0.1947                 0.1942                -0.0496
 Raman1 Fr= 1--      24.737                  1.271                  9.775
 ROA1   Fr= 1--     -35.008                 49.251                -21.079
 CID1   Fr= 1--      -1.415                 38.743                 -2.157
 Raman2 Fr= 1--      10.601                  0.538                  3.636
 ROA2   Fr= 1--      -5.636                  9.206                 -4.476
 CID2   Fr= 1--      -0.532                 17.102                 -1.231
 Raman3 Fr= 1--      21.202                  1.077                  7.272
 ROA3   Fr= 1--     -35.008                 49.251                -21.079
 CID3   Fr= 1--      -1.651                 45.749                 -2.899
 RC180  Fr= 1--       0.714                  0.694                  0.488
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.01   0.01  -0.02     0.00  -0.00   0.00
     2   6     0.03  -0.01  -0.01    -0.02   0.02  -0.03    -0.01   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.01  -0.01   0.00     0.03   0.01  -0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.02   0.01    -0.01   0.01  -0.03    -0.00   0.00   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.07  -0.02
     8   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.04  -0.04   0.01     0.01  -0.01   0.00    -0.03  -0.05  -0.01
    10   1    -0.05  -0.01  -0.03     0.07  -0.06  -0.01     0.02  -0.02  -0.00
    11   1    -0.00   0.00   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1    -0.00  -0.01  -0.00     0.00   0.00  -0.01    -0.19   0.34   0.57
    13   1    -0.00   0.01   0.00     0.01  -0.01   0.00    -0.39   0.57  -0.19
    14   1    -0.11   0.08   0.24     0.17   0.29  -0.04     0.00   0.00  -0.00
    15   1    -0.18   0.29  -0.09    -0.07  -0.43   0.05    -0.00  -0.00  -0.00
    16   1     0.16   0.01  -0.19     0.10  -0.08   0.54     0.00   0.00  -0.00
    17   1    -0.33  -0.04   0.49    -0.22  -0.22   0.10    -0.00  -0.01  -0.00
    18   1     0.22  -0.36   0.07     0.19  -0.10   0.37     0.00   0.00   0.01
    19   1    -0.36   0.25  -0.09     0.20   0.21  -0.04     0.00   0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1808.2396              3012.7248              3027.7790
 Red. masses --      9.5529                 1.0814                 1.0392
 Frc consts  --     18.4034                 5.7831                 5.6132
 IR Inten    --    300.1219                 5.3406                22.5394
 RamAct Fr= 1--     20.2368               154.0850                13.3989
  Dep-P Fr= 1--      0.1720                 0.1797                 0.0918
  Dep-U Fr= 1--      0.2935                 0.3047                 0.1682
 Alpha2 Fr= 1--      0.2957                 2.2070                 0.2393
 Beta2  Fr= 1--      0.9898                 7.8240                 0.3757
 AlphaG Fr= 1--     -0.2296                 0.0711                 0.0379
 Gamma2 Fr= 1--     -0.2720                -1.0044                 0.1137
 Delta2 Fr= 1--      0.6880                -1.7482                -0.4458
 Raman1 Fr= 1--      80.947                616.340                 53.595
 ROA1   Fr= 1--      -4.094               -152.367                 -3.346
 CID1   Fr= 1--      -0.051                 -0.247                 -0.062
 Raman2 Fr= 1--      11.878                 93.888                  4.508
 ROA2   Fr= 1--     -12.031                -10.121                  6.296
 CID2   Fr= 1--      -1.013                 -0.108                  1.396
 Raman3 Fr= 1--      23.756                187.776                  9.017
 ROA3   Fr= 1--      -4.094               -152.367                 -3.346
 CID3   Fr= 1--      -0.172                 -0.811                 -0.371
 RC180  Fr= 1--      -0.413                 -0.391                 -0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.02   0.01
     2   6    -0.01   0.01  -0.00     0.01  -0.01  -0.08     0.00  -0.00  -0.01
     3   6    -0.06  -0.03  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
     4   6     0.47   0.29   0.44     0.00   0.00  -0.00     0.00   0.00   0.00
     5   8    -0.04  -0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.02     0.04  -0.00  -0.03
     7   7    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   8    -0.27  -0.18  -0.30    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.21   0.14   0.05     0.02  -0.01  -0.14     0.01  -0.00  -0.04
    10   1     0.01  -0.02   0.00    -0.12   0.15   0.93    -0.01   0.02   0.10
    11   1    -0.02   0.07   0.47     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.00   0.02   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    13   1    -0.01  -0.03  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.01   0.01  -0.01     0.01   0.00   0.01    -0.32   0.20  -0.25
    15   1    -0.00  -0.00  -0.00     0.03  -0.04  -0.21    -0.10   0.12   0.63
    16   1    -0.01  -0.00   0.00     0.00   0.02   0.01    -0.00  -0.30  -0.05
    17   1    -0.01  -0.03  -0.02    -0.01   0.01  -0.00     0.19  -0.11   0.12
    18   1     0.01   0.01   0.04     0.02   0.00  -0.00    -0.21  -0.09   0.09
    19   1     0.04   0.01   0.01     0.01  -0.03  -0.14     0.03  -0.06  -0.36
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3033.0319              3070.8018              3084.7338
 Red. masses --      1.0380                 1.0857                 1.0993
 Frc consts  --      5.6262                 6.0321                 6.1630
 IR Inten    --     26.5189                10.7142                14.9337
 RamAct Fr= 1--    231.3764                59.8288                31.3238
  Dep-P Fr= 1--      0.0061                 0.0618                 0.6145
  Dep-U Fr= 1--      0.0121                 0.1164                 0.7612
 Alpha2 Fr= 1--      5.0692                 1.1490                 0.0779
 Beta2  Fr= 1--      0.4661                 1.1608                 3.9740
 AlphaG Fr= 1--     -0.2268                 0.2604                 0.0558
 Gamma2 Fr= 1--     -0.2557                 4.0290                15.8368
 Delta2 Fr= 1--     -0.3226                 3.5583                10.2593
 Raman1 Fr= 1--     925.506                239.315                125.295
 ROA1   Fr= 1--     -34.868                500.645               1848.629
 CID1   Fr= 1--      -0.038                  2.092                 14.754
 Raman2 Fr= 1--       5.594                 13.930                 47.688
 ROA2   Fr= 1--      -3.556                 68.229                298.008
 CID2   Fr= 1--      -0.636                  4.898                  6.249
 Raman3 Fr= 1--      11.187                 27.860                 95.376
 ROA3   Fr= 1--     -34.868                500.645               1848.629
 CID3   Fr= 1--      -3.117                 17.970                 19.383
 RC180  Fr= 1--      -0.976                 -0.767                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.02    -0.00  -0.00   0.01     0.00  -0.01   0.04
     2   6     0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     3   6    -0.00   0.00   0.01     0.01  -0.00  -0.08     0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.02  -0.00  -0.01     0.01  -0.00   0.01    -0.04   0.01  -0.07
     7   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1     0.02  -0.01  -0.08    -0.15   0.06   0.95    -0.01   0.01   0.09
    10   1    -0.02   0.02   0.14    -0.01   0.02   0.12    -0.01   0.01   0.08
    11   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.19   0.12  -0.15    -0.10   0.06  -0.07     0.52  -0.32   0.37
    15   1    -0.06   0.07   0.35     0.01  -0.01  -0.05    -0.10   0.11   0.52
    16   1    -0.01  -0.18  -0.03    -0.00  -0.05  -0.00    -0.00   0.14   0.00
    17   1    -0.33   0.20  -0.21    -0.05   0.03  -0.03    -0.19   0.11  -0.11
    18   1     0.39   0.17  -0.16     0.08   0.03  -0.03     0.14   0.06  -0.05
    19   1    -0.04   0.10   0.56     0.00  -0.01  -0.04     0.02  -0.05  -0.28
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3093.8185              3100.0374              3124.8359
 Red. masses --      1.0996                 1.1016                 1.0987
 Frc consts  --      6.2011                 6.2375                 6.3207
 IR Inten    --     49.4785                33.7244                13.5284
 RamAct Fr= 1--     79.1189                64.6656                53.4199
  Dep-P Fr= 1--      0.5451                 0.7059                 0.6115
  Dep-U Fr= 1--      0.7056                 0.8276                 0.7589
 Alpha2 Fr= 1--      0.3108                 0.0495                 0.1360
 Beta2  Fr= 1--      9.3044                 8.9194                 6.7571
 AlphaG Fr= 1--      0.2178                -0.0454                -0.0427
 Gamma2 Fr= 1--    -19.3001                 4.9156                -2.1619
 Delta2 Fr= 1--    -13.3863                 4.1626                -1.0836
 Raman1 Fr= 1--     316.476                258.663                213.679
 ROA1   Fr= 1--   -2281.177                605.104               -242.218
 CID1   Fr= 1--      -7.208                  2.339                 -1.134
 Raman2 Fr= 1--     111.653                107.033                 81.086
 ROA2   Fr= 1--    -356.113                 84.675                -43.217
 CID2   Fr= 1--      -3.189                  0.791                 -0.533
 Raman3 Fr= 1--     223.306                214.067                162.172
 ROA3   Fr= 1--   -2281.177                605.104               -242.218
 CID3   Fr= 1--     -10.215                  2.827                 -1.494
 RC180  Fr= 1--       0.411                  0.655                  0.518
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.08    -0.09   0.01  -0.01     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.03    -0.00  -0.00  -0.01     0.02  -0.09  -0.01
     7   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.02   0.01   0.13     0.00  -0.00   0.00    -0.00   0.00   0.01
    10   1    -0.02   0.03   0.18    -0.00   0.00   0.01    -0.01   0.01   0.03
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.21  -0.13   0.15     0.05  -0.03   0.04    -0.23   0.13  -0.18
    15   1    -0.04   0.04   0.22    -0.01   0.01   0.04    -0.03   0.02   0.19
    16   1    -0.00   0.05   0.00     0.00   0.03   0.00     0.04   0.91   0.14
    17   1     0.29  -0.17   0.16     0.55  -0.34   0.35    -0.01   0.01  -0.00
    18   1    -0.44  -0.19   0.15     0.57   0.26  -0.23    -0.00  -0.00   0.00
    19   1    -0.04   0.13   0.63    -0.02   0.01   0.04     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3490.3645              3569.0676              3729.6264
 Red. masses --      1.0484                 1.0938                 1.0642
 Frc consts  --      7.5251                 8.2089                 8.7218
 IR Inten    --      1.3575                 4.3036                66.7126
 RamAct Fr= 1--    109.0689                48.3749               109.1425
  Dep-P Fr= 1--      0.0839                 0.6667                 0.2287
  Dep-U Fr= 1--      0.1549                 0.8000                 0.3723
 Alpha2 Fr= 1--      1.9859                 0.0716                 1.3721
 Beta2  Fr= 1--      2.8149                 6.4503                 6.7714
 AlphaG Fr= 1--      0.4296                 0.0755                 0.1078
 Gamma2 Fr= 1--      1.3153                 0.1682                -0.8009
 Delta2 Fr= 1--      0.6787                -0.3130                 0.8141
 Raman1 Fr= 1--     436.276                193.500                436.570
 ROA1   Fr= 1--     147.983                  6.135                -50.838
 CID1   Fr= 1--       0.339                  0.032                 -0.116
 Raman2 Fr= 1--      33.779                 77.403                 81.257
 ROA2   Fr= 1--      26.137                  6.541                -25.735
 CID2   Fr= 1--       0.774                  0.085                 -0.317
 Raman3 Fr= 1--      67.558                154.807                162.514
 ROA3   Fr= 1--     147.983                  6.135                -50.838
 CID3   Fr= 1--       2.190                  0.040                 -0.313
 RC180  Fr= 1--      -0.690                  0.600                 -0.255
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.06  -0.03   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.03  -0.02    -0.02   0.02  -0.08     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00  -0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.90   0.41  -0.10
    12   1    -0.41   0.35  -0.40     0.48  -0.39   0.41     0.00  -0.00   0.00
    13   1    -0.16   0.08   0.72    -0.18   0.08   0.64     0.00  -0.00  -0.00
    14   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   633.433281171.676921443.30431
           X            0.99950  -0.02859  -0.01349
           Y            0.02838   0.99948  -0.01560
           Z            0.01393   0.01521   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13674     0.07392     0.06001
 Rotational constants (GHZ):           2.84914     1.54031     1.25042
 Zero-point vibrational energy     430915.6 (Joules/Mol)
                                  102.99130 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     72.12   104.55   240.99   306.48   323.30
          (Kelvin)            374.46   384.32   429.80   504.37   556.19
                              631.14   766.71   855.92   913.56  1112.99
                             1167.85  1219.80  1297.53  1345.52  1369.59
                             1408.48  1540.84  1586.64  1627.77  1693.74
                             1720.75  1797.31  1886.71  1927.20  1951.63
                             1979.57  2015.74  2020.42  2054.91  2141.98
                             2145.65  2167.18  2178.78  2388.54  2601.65
                             4334.64  4356.30  4363.86  4418.20  4438.24
                             4451.31  4460.26  4495.94  5021.86  5135.09
                             5366.10
 
 Zero-point correction=                           0.164127 (Hartree/Particle)
 Thermal correction to Energy=                    0.173697
 Thermal correction to Enthalpy=                  0.174641
 Thermal correction to Gibbs Free Energy=         0.129663
 Sum of electronic and zero-point Energies=           -402.405664
 Sum of electronic and thermal Energies=              -402.396094
 Sum of electronic and thermal Enthalpies=            -402.395150
 Sum of electronic and thermal Free Energies=         -402.440128
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.997             34.516             94.664
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.462
 Vibrational            107.219             28.555             26.015
 Vibration     1          0.595              1.978              4.812
 Vibration     2          0.599              1.967              4.080
 Vibration     3          0.624              1.882              2.463
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.649              1.803              1.921
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.672              1.733              1.615
 Vibration     8          0.692              1.676              1.424
 Vibration     9          0.727              1.574              1.164
 Vibration    10          0.755              1.499              1.013
 Vibration    11          0.799              1.386              0.831
 Vibration    12          0.888              1.177              0.581
 Vibration    13          0.953              1.043              0.459
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.228637D-59        -59.640854       -137.328142
 Total V=0       0.711703D+16         15.852299         36.501266
 Vib (Bot)       0.123935D-72        -72.906805       -167.874123
 Vib (Bot)    1  0.412382D+01          0.615300          1.416780
 Vib (Bot)    2  0.283720D+01          0.452890          1.042818
 Vib (Bot)    3  0.120415D+01          0.080682          0.185776
 Vib (Bot)    4  0.931283D+00         -0.030919         -0.071193
 Vib (Bot)    5  0.878519D+00         -0.056249         -0.129517
 Vib (Bot)    6  0.746183D+00         -0.127155         -0.292785
 Vib (Bot)    7  0.724566D+00         -0.139922         -0.322182
 Vib (Bot)    8  0.637083D+00         -0.195804         -0.450856
 Vib (Bot)    9  0.526116D+00         -0.278919         -0.642234
 Vib (Bot)   10  0.465554D+00         -0.332030         -0.764527
 Vib (Bot)   11  0.394504D+00         -0.403949         -0.930127
 Vib (Bot)   12  0.299309D+00         -0.523880         -1.206278
 Vib (Bot)   13  0.252319D+00         -0.598050         -1.377061
 Vib (V=0)       0.385787D+03          2.586347          5.955285
 Vib (V=0)    1  0.465402D+01          0.667829          1.537732
 Vib (V=0)    2  0.338092D+01          0.529035          1.218148
 Vib (V=0)    3  0.180383D+01          0.256197          0.589915
 Vib (V=0)    4  0.155702D+01          0.192294          0.442772
 Vib (V=0)    5  0.151084D+01          0.179218          0.412665
 Vib (V=0)    6  0.139821D+01          0.145574          0.335196
 Vib (V=0)    7  0.138034D+01          0.139986          0.322329
 Vib (V=0)    8  0.130986D+01          0.117225          0.269921
 Vib (V=0)    9  0.122581D+01          0.088423          0.203601
 Vib (V=0)   10  0.118318D+01          0.073052          0.168209
 Vib (V=0)   11  0.113689D+01          0.055720          0.128299
 Vib (V=0)   12  0.108274D+01          0.034524          0.079495
 Vib (V=0)   13  0.106006D+01          0.025330          0.058324
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.370492D+06          5.568779         12.822587
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3  3        33333333                                        1    1 11111111111 111 111                                    
     7     5  4        11000000                                        8    6 55444443333 211 110  9999 887    65 5   43322222 1     
     3     6  9        20987321                                        0    6 10982007531 497 307  7530 417    39 3   38596621 6  75 
     0     9  0        50451383                                        8    0 46198416691 967 131  9252 824    55 3   97197053 7  30 
 
     X     X  X        XXXXXXXX                                        X    X XXXXXXXXXXX XXX XXX  XXXX XXX    XX X   XXXXXXXX    XX 
     X                  XX  XX                                         X    X          X    X XX      X XX     XX                    
     X                   X                                             X                    X X       X XX     XX                    
     X                                                                 X                    X           XX      X                    
                                                                       X                    X            X      X                    
                                                                       X                    X                   X                    
                                                                       X                    X                                        
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002364    0.000008364   -0.000003506
      2        6          -0.000002945   -0.000009678    0.000003667
      3        6           0.000002924   -0.000013778   -0.000005041
      4        6          -0.000004547    0.000003603   -0.000012835
      5        8          -0.000002952   -0.000003254    0.000009153
      6        6           0.000002797    0.000010544   -0.000002968
      7        7          -0.000006620    0.000000976   -0.000001468
      8        8           0.000005026    0.000003555    0.000000832
      9        1           0.000002883   -0.000002730   -0.000000041
     10        1          -0.000004172    0.000000848    0.000000958
     11        1           0.000002099    0.000001112   -0.000002274
     12        1          -0.000002178   -0.000001433    0.000004236
     13        1           0.000003747   -0.000000240    0.000004683
     14        1           0.000001026    0.000000602   -0.000000495
     15        1          -0.000000735    0.000001359    0.000001001
     16        1          -0.000000232   -0.000001171    0.000003035
     17        1           0.000000806    0.000000600   -0.000001403
     18        1          -0.000001030    0.000001914    0.000001580
     19        1           0.000001739   -0.000001191    0.000000886
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013778 RMS     0.000004352
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.860997D+02  0.283503D+01  0.546460D+00
      2   0.283503D+01  0.779922D+02  0.129799D+01
      3   0.546460D+00  0.129799D+01  0.723793D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.469147D+00 -0.500744D+01  0.232232D+01
      2   0.199724D+01 -0.318284D+01  0.205678D+02
      3   0.588661D+01 -0.371871D+02  0.322130D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.750216D+02 -0.182804D+02  0.520171D+01
      2  -0.304062D+02  0.166097D+02  0.346338D+01
      3  -0.446154D+02  0.167067D+01 -0.866508D+01
      4  -0.231947D+02  0.649846D+02 -0.787290D+01
      5  -0.289236D+00 -0.883390D+01  0.245592D+02
      6  -0.261773D+01 -0.195058D+01 -0.127420D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.102542D+01  0.464258D+01 -0.316273D+01  0.421039D+01 -0.643717D+00
      2   0.464258D+01 -0.903282D+00  0.398098D+00 -0.643717D+00 -0.308163D+01
      3  -0.316273D+01  0.398098D+00 -0.890108D+00  0.302961D+00 -0.115671D+01
                 6             7             8             9            10 
      1   0.302961D+00 -0.353109D+01  0.517973D+00 -0.114498D+01  0.302397D+00
      2  -0.115671D+01  0.517973D+00 -0.180531D+01  0.276103D+01 -0.407462D+01
      3   0.212100D+01 -0.114498D+01  0.276103D+01  0.499739D+01  0.186388D+01
                11            12            13            14            15 
      1  -0.407462D+01  0.186388D+01 -0.561192D+01  0.939280D+00 -0.168103D+00
      2   0.129479D+01  0.172439D-01  0.939280D+00  0.431269D+01  0.761926D+00
      3   0.172439D-01  0.131498D+01 -0.168103D+00  0.761926D+00 -0.149351D+01
                16            17            18            19            20 
      1   0.349892D+01 -0.908510D-01  0.183650D+01 -0.126216D+01  0.396902D+01
      2  -0.908510D-01  0.127941D+01 -0.182289D+01  0.396902D+01 -0.172359D+00
      3   0.183650D+01 -0.182289D+01 -0.764833D+01 -0.225813D+01 -0.241223D+00
                21            22            23            24            25 
      1  -0.225813D+01  0.294333D+01 -0.170875D+01 -0.371887D+00 -0.262264D+01
      2  -0.241223D+00 -0.170875D+01 -0.414797D+01 -0.135809D+01  0.854022D-01
      3  -0.926926D+00 -0.371887D+00 -0.135809D+01  0.114423D+01 -0.132566D+01
                26            27            28            29            30 
      1   0.854022D-01 -0.132566D+01  0.982510D+00  0.364361D+00  0.344713D+01
      2  -0.160233D+01  0.921561D+00  0.364361D+00  0.282087D+01  0.137950D+01
      3   0.921561D+00  0.642265D+01  0.344713D+01  0.137950D+01  0.271363D+01
                31            32            33            34            35 
      1   0.156437D+01  0.129607D+01  0.149525D+01  0.475420D+01  0.185113D+01
      2   0.129607D+01  0.671887D+00  0.152760D+01  0.185113D+01  0.219938D+01
      3   0.149525D+01  0.152760D+01  0.124139D+01  0.204290D+01  0.547235D+00
                36            37            38            39            40 
      1   0.204290D+01  0.544206D+01  0.184308D+01 -0.101343D+01  0.264769D+01
      2   0.547235D+00  0.184308D+01  0.461205D+00 -0.103212D+01  0.468020D+00
      3   0.108668D+00 -0.101343D+01 -0.103212D+01  0.103578D+01 -0.127551D+01
                41            42            43            44            45 
      1   0.468020D+00 -0.127551D+01  0.557332D+00 -0.335144D+00 -0.730509D+00
      2   0.110441D+01  0.923873D+00 -0.335144D+00  0.208517D+01  0.239633D+00
      3   0.923873D+00  0.817865D+00 -0.730509D+00  0.239633D+00  0.489196D+01
                46            47            48            49            50 
      1   0.138197D+00  0.364790D+01 -0.254301D+01  0.449541D+01 -0.119443D+01
      2   0.364790D+01 -0.424519D+00  0.480546D+00 -0.119443D+01 -0.534801D+01
      3  -0.254301D+01  0.480546D+00 -0.223557D+01  0.623444D+00 -0.138957D+01
                51            52            53            54            55 
      1   0.623444D+00 -0.412049D+01  0.398474D+00 -0.313505D+01  0.283105D+01
      2  -0.138957D+01  0.398474D+00 -0.144253D+01  0.152655D+01 -0.235787D+01
      3   0.178610D+01 -0.313505D+01  0.152655D+01  0.522488D+01  0.121946D+01
                56            57            58            59            60 
      1  -0.235787D+01  0.121946D+01 -0.618651D+00  0.241139D+01 -0.432700D+00
      2   0.241518D+01 -0.657249D+00  0.241139D+01  0.432588D+01  0.110590D+01
      3  -0.657249D+00  0.246195D+01 -0.432700D+00  0.110590D+01 -0.103116D+01
                61            62            63            64            65 
      1   0.179583D+01 -0.828259D+00  0.271301D+01 -0.741295D+01 -0.271115D+01
      2  -0.828259D+00  0.995210D+00 -0.107291D+01 -0.271115D+01 -0.313751D+01
      3   0.271301D+01 -0.107291D+01 -0.329286D+01 -0.411810D+01 -0.105728D+01
                66            67            68            69            70 
      1  -0.411810D+01 -0.323924D+01 -0.229710D+01 -0.114231D+01 -0.574811D+01
      2  -0.105728D+01 -0.229710D+01 -0.310817D+01 -0.271594D+01 -0.185310D+01
      3  -0.353379D+01 -0.114231D+01 -0.271594D+01 -0.198464D+01 -0.379353D+01
                71            72            73            74            75 
      1  -0.185310D+01 -0.379353D+01  0.678775D+00 -0.519725D+00 -0.872723D+00
      2  -0.384748D+01 -0.196896D+01 -0.519725D+00  0.411735D+00 -0.408904D-03
      3  -0.196896D+01 -0.692972D+01 -0.872723D+00 -0.408904D-03  0.923446D+00
                76            77            78            79            80 
      1  -0.669076D+00  0.231656D+00  0.410359D-01 -0.141970D+01  0.152901D+00
      2   0.231656D+00  0.371349D+00 -0.950327D+00  0.152901D+00 -0.140009D+01
      3   0.410359D-01 -0.950327D+00 -0.371028D+00  0.445878D+00  0.441690D-01
                81            82            83            84            85 
      1   0.445878D+00 -0.728427D+00  0.867762D+00  0.935903D+00  0.984227D+00
      2   0.441690D-01  0.867762D+00 -0.370084D+00 -0.214619D-01 -0.250301D+00
      3  -0.705371D+01  0.935903D+00 -0.214619D-01 -0.543017D+00 -0.122054D-01
                86            87            88            89            90 
      1  -0.250301D+00 -0.122054D-01  0.147084D+01 -0.886308D-01 -0.364364D+00
      2  -0.962780D-01  0.112548D+01 -0.886308D-01  0.168399D+01  0.817230D+00
      3   0.112548D+01  0.978495D+00 -0.364364D+00  0.817230D+00  0.797784D+01
                91            92            93            94            95 
      1  -0.749593D+01 -0.184783D+01  0.299761D+01 -0.256611D+01 -0.149620D+01
      2  -0.184783D+01 -0.137962D+01  0.765034D+00 -0.149620D+01 -0.976101D+00
      3   0.299761D+01  0.765034D+00 -0.246452D+01  0.115783D+01  0.860135D+00
                96            97            98            99           100 
      1   0.115783D+01  0.980103D+00  0.219568D+00 -0.103462D+01 -0.236388D+01
      2   0.860135D+00  0.219568D+00  0.408424D+00 -0.311705D+00  0.265461D+01
      3  -0.105677D+01 -0.103462D+01 -0.311705D+00  0.156153D+01 -0.117170D+01
               101           102           103           104           105 
      1   0.265461D+01 -0.117170D+01  0.222064D+01 -0.230603D+01  0.905728D+00
      2  -0.346155D+01  0.117929D+01 -0.230603D+01  0.448338D+01 -0.133855D+01
      3   0.117929D+01 -0.122774D+01  0.905728D+00 -0.133855D+01  0.122449D+01
               106           107           108           109           110 
      1  -0.194748D+01  0.156762D+01 -0.138547D+01 -0.357136D+00  0.744778D+00
      2   0.156762D+01 -0.288703D+01  0.177077D+01  0.744778D+00 -0.702053D+00
      3  -0.138547D+01  0.177077D+01 -0.175732D+01  0.479865D+00 -0.501521D+00
               111           112           113           114           115 
      1   0.479865D+00  0.529307D+00 -0.277409D+00 -0.384940D+00  0.133452D+01
      2  -0.501521D+00 -0.277409D+00  0.118644D+01  0.842566D+00 -0.609495D+00
      3  -0.940636D+00 -0.384940D+00  0.842566D+00  0.936950D+00 -0.111398D+01
               116           117           118           119           120 
      1  -0.609495D+00 -0.111398D+01  0.697019D+01 -0.166109D+01  0.235984D+01
      2   0.257343D+01  0.205112D+01 -0.166109D+01  0.129161D+01 -0.539844D+00
      3   0.205112D+01  0.526149D+01  0.235984D+01 -0.539844D+00  0.187466D+01
               121           122           123           124           125 
      1  -0.345931D+01  0.161553D+01 -0.831091D+00  0.414238D+01 -0.666069D+00
      2   0.161553D+01 -0.879110D+00  0.875209D+00 -0.666069D+00  0.118043D+01
      3  -0.831091D+00  0.875209D+00 -0.107955D+01  0.236660D+01 -0.781489D+00
               126           127           128           129           130 
      1   0.236660D+01  0.130511D+01 -0.368731D+00 -0.103228D+01 -0.105822D+01
      2  -0.781489D+00 -0.368731D+00  0.230216D+00  0.230280D-01  0.525314D+00
      3   0.162526D+01 -0.103228D+01  0.230280D-01  0.118378D+01  0.270303D+00
               131           132           133           134           135 
      1   0.525314D+00  0.270303D+00 -0.268402D+01 -0.772629D-01  0.263864D+01
      2   0.680967D-01 -0.781747D+00 -0.772629D-01 -0.133058D+01 -0.350454D+00
      3  -0.781747D+00 -0.995616D+00  0.263864D+01 -0.350454D+00 -0.688738D+01
               136           137           138           139           140 
      1   0.586127D+00  0.899685D+00  0.378920D+00  0.240187D+01  0.196135D+01
      2   0.899685D+00  0.101299D+01  0.580431D-01  0.196135D+01  0.775851D+01
      3   0.378920D+00  0.580431D-01  0.304707D+00  0.602127D-01  0.638679D+00
               141           142           143           144           145 
      1   0.602127D-01  0.802063D+00  0.175604D+00  0.703705D+00  0.435223D+01
      2   0.638679D+00  0.175604D+00  0.917429D+00  0.835436D+00 -0.305345D+01
      3   0.104365D+01  0.703705D+00  0.835436D+00 -0.417223D-01  0.174909D+01
               146           147           148           149           150 
      1  -0.305345D+01  0.174909D+01 -0.229411D+01  0.230262D+01 -0.819819D+00
      2   0.348158D+01 -0.108089D+01  0.230262D+01 -0.327409D+01  0.133994D+01
      3  -0.108089D+01  0.155831D+01 -0.819819D+00  0.133994D+01 -0.117830D+01
               151           152           153           154           155 
      1   0.223699D+01 -0.126060D+01  0.148231D+01 -0.518060D+01 -0.220282D+01
      2  -0.126060D+01  0.232738D+01 -0.164968D+01 -0.220282D+01 -0.322606D+01
      3   0.148231D+01 -0.164968D+01  0.135871D+01  0.132763D+01  0.693664D+00
               156           157           158           159           160 
      1   0.132763D+01 -0.193664D+01 -0.178219D+01  0.517932D+00  0.169249D+01
      2   0.693664D+00 -0.178219D+01 -0.237625D+01  0.821100D+00  0.558711D+00
      3  -0.111979D+01  0.517932D+00  0.821100D+00 -0.880176D+00 -0.846333D+00
               161           162           163           164           165 
      1   0.558711D+00 -0.846333D+00  0.187010D+00 -0.836485D+00 -0.587214D+00
      2   0.147479D+01 -0.113100D+01 -0.836485D+00  0.356855D+00  0.137553D+00
      3  -0.113100D+01  0.578539D+00 -0.587214D+00  0.137553D+00  0.510844D+00
               166           167           168           169           170 
      1  -0.543946D+00  0.204910D+00  0.638592D-01 -0.119214D+01  0.282028D+00
      2   0.204910D+00 -0.995045D+00 -0.113148D+01  0.282028D+00 -0.280970D+01
      3   0.638592D-01 -0.113148D+01 -0.122341D+01  0.644964D+00 -0.242564D+01
               171 
      1   0.644964D+00
      2  -0.242564D+01
      3  -0.639788D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.654853D+01  0.717569D+00 -0.162183D+01  0.375717D+00 -0.501589D+01
      2  -0.373303D+01  0.104856D+01  0.700288D+00  0.400034D+00 -0.975894D+00
      3  -0.869605D+01 -0.133252D+02  0.643112D+01 -0.735565D+01  0.534001D+01
                 6             7             8             9            10 
      1   0.268616D+01 -0.250671D+01  0.934215D+01  0.103603D+02 -0.464462D+00
      2   0.246291D+01 -0.321948D+01  0.328900D+01  0.593943D+01  0.275973D+01
      3   0.760450D+00  0.711031D+01  0.448462D+00 -0.130602D+01  0.685160D+01
                11            12            13            14            15 
      1  -0.218605D+00  0.369044D+00 -0.112637D+01  0.215306D+01 -0.299958D+01
      2  -0.204795D-01  0.455395D+01 -0.755880D+00  0.694295D+00 -0.198956D+01
      3  -0.329746D+01  0.192018D+00  0.302863D+01 -0.542866D+01 -0.117107D+01
                16            17            18            19            20 
      1   0.733627D+00  0.367464D+01 -0.236625D+01 -0.121733D+01 -0.183225D+01
      2  -0.203686D+01 -0.239309D+01 -0.991085D+01  0.315420D+01 -0.354311D+00
      3   0.169823D+01 -0.200773D+01  0.229672D+01 -0.207017D+01 -0.360309D+01
                21            22            23            24            25 
      1  -0.887525D-01 -0.997289D+00  0.304541D+01  0.210613D+00  0.779512D+00
      2   0.532075D+00  0.178555D+01 -0.561797D+00  0.129258D+00 -0.636195D+01
      3  -0.255934D+00  0.197674D+00 -0.467449D+01  0.182426D+01 -0.279184D+01
                26            27            28            29            30 
      1   0.486679D+01 -0.276408D+01 -0.209725D+01 -0.373470D+01  0.369089D+01
      2   0.120717D+00 -0.810542D+00 -0.322616D+01 -0.109395D+00 -0.117291D+01
      3   0.212488D+01 -0.935335D+00 -0.797674D+01  0.595560D+01  0.756282D+00
                31            32            33            34            35 
      1   0.143302D+01 -0.176568D+01 -0.911470D+01  0.149328D+01 -0.568975D+01
      2   0.305400D+01 -0.192537D+01 -0.641560D+01 -0.113359D+00 -0.280692D+01
      3   0.190953D+02  0.132614D+02 -0.246343D+00 -0.895127D+00 -0.253688D+01
                36            37            38            39            40 
      1   0.384175D+01  0.179809D+01 -0.394461D+00 -0.183623D+00  0.294915D+00
      2  -0.252087D+01 -0.308826D+01  0.708069D-01  0.554602D+00 -0.627914D+00
      3   0.663173D+00  0.339218D+01 -0.814091D+00 -0.158977D+01  0.554966D+00
                41            42            43            44            45 
      1   0.819822D+00 -0.280108D+00 -0.190902D+00  0.541200D+01  0.461747D+00
      2  -0.321950D+01 -0.661845D+00 -0.666215D+01 -0.150876D+01 -0.866650D+01
      3   0.515288D+00  0.287222D+01  0.183290D+00  0.372524D+01  0.916920D+00
                46            47            48            49            50 
      1   0.109854D+01  0.429922D+00  0.531738D+00  0.138082D+01  0.187139D+01
      2  -0.889693D+01  0.134972D+01 -0.521647D+01  0.229891D+01 -0.412813D+01
      3  -0.963191D+01  0.118605D+01 -0.226861D+01  0.947635D+01  0.167693D+02
                51            52            53            54            55 
      1  -0.244281D+01  0.136250D+01  0.131434D+01 -0.249407D+01 -0.137852D+01
      2   0.477440D+01 -0.128329D+02  0.384126D+01  0.143409D+02  0.942020D+00
      3   0.363885D+01 -0.366793D+01  0.451095D+01 -0.587742D+01  0.707392D+01
                56            57            58            59            60 
      1   0.335183D+01 -0.732448D+01  0.255394D+01 -0.410394D+01 -0.230626D+01
      2   0.165598D+01  0.428799D+01  0.692149D-02  0.531244D+00  0.118942D+01
      3  -0.115712D+02  0.165651D+01  0.257771D+01  0.508465D+01 -0.262606D+01
                61            62            63            64            65 
      1  -0.702431D+01  0.782016D+01  0.800191D+01  0.228688D+01  0.652645D+01
      2  -0.157577D+01  0.455198D+00 -0.107941D+01 -0.365273D+00 -0.186454D-01
      3   0.354263D+01 -0.239425D+01  0.662404D+01  0.247143D+01 -0.781634D+01
                66            67            68            69            70 
      1  -0.280260D+01 -0.208844D+00  0.282092D+01 -0.129719D+01  0.660887D+00
      2   0.918492D+01 -0.354899D+01  0.395827D+01  0.542991D+01 -0.250376D+01
      3  -0.603422D+00 -0.304136D+01 -0.833545D+01 -0.261648D+01  0.211720D+00
                71            72            73            74            75 
      1   0.844107D+01 -0.219625D+01  0.920965D+00 -0.349651D+00 -0.367151D+00
      2   0.298494D+01  0.116375D+02  0.735298D+00 -0.514974D+00  0.777189D+00
      3  -0.237242D+01 -0.217482D+01  0.638462D+00 -0.712140D+00 -0.529991D+00
                76            77            78            79            80 
      1  -0.330647D-01  0.375174D+00 -0.314607D+00 -0.587099D+00  0.332115D+01
      2  -0.703918D+00  0.279758D+00 -0.658593D-01 -0.368997D+01  0.261198D+00
      3   0.106070D+01  0.873397D-02 -0.135219D+00 -0.470892D+00  0.112653D+00
                81            82            83            84            85 
      1   0.333175D+01  0.954165D+00 -0.571440D+00 -0.130553D+00 -0.204669D+00
      2   0.685630D+00  0.232818D+01 -0.551671D+00 -0.488482D+00 -0.102013D+01
      3  -0.172999D-04 -0.935638D+00 -0.684063D+00 -0.287052D+00  0.125992D+01
                86            87            88            89            90 
      1   0.719356D+00 -0.316130D+00 -0.596739D+00  0.394953D+01  0.217304D+01
      2   0.177431D+01  0.114464D+01 -0.463976D+01  0.140385D+01  0.981812D+01
      3   0.627228D-01 -0.118289D+01 -0.143004D+00 -0.167722D+01 -0.635976D+00
                91            92            93            94            95 
      1  -0.124546D+01 -0.176289D+01 -0.288010D+00 -0.120895D+01 -0.146073D+01
      2   0.226027D+01  0.290632D+00  0.346619D+01  0.646051D+00 -0.154633D+00
      3  -0.177369D+01 -0.392063D+01  0.101876D+01 -0.154153D+01 -0.264361D+01
                96            97            98            99           100 
      1  -0.230922D+00  0.655895D+00  0.823757D+00 -0.370233D+00  0.259471D+01
      2   0.155461D+01 -0.517044D+00  0.697382D-02 -0.880235D+00 -0.140005D+01
      3   0.929622D+00  0.586339D+00  0.846843D+00 -0.479337D+00 -0.676845D+01
               101           102           103           104           105 
      1  -0.242778D+01  0.400731D+01 -0.243330D+01  0.223967D+01 -0.345511D+01
      2  -0.111562D+00  0.801776D+00  0.229998D+00  0.813133D-02 -0.671630D+00
      3   0.448471D+01 -0.294507D+01  0.702422D+01 -0.474930D+01  0.255991D+01
               106           107           108           109           110 
      1   0.335635D+01 -0.236956D+01  0.369333D+01 -0.148810D+01  0.839239D+00
      2  -0.117157D+01 -0.214087D+00  0.420711D+00  0.726545D+00  0.131867D+00
      3  -0.560890D+01  0.335480D+01 -0.365005D+01 -0.114156D+01  0.553109D+00
               111           112           113           114           115 
      1   0.332449D+01  0.763681D+00 -0.259082D+01 -0.255597D+01  0.314960D+01
      2  -0.133868D+00  0.239312D+00 -0.187242D-01 -0.154237D+00 -0.249195D+01
      3   0.992149D+00  0.141408D+01 -0.107864D+01 -0.967071D+00  0.358027D+01
               116           117           118           119           120 
      1  -0.314471D+01 -0.133516D+02 -0.571451D+00  0.662478D+00 -0.562435D-02
      2   0.179499D+00  0.551281D+00  0.617865D+01 -0.184755D+01  0.767588D+01
      3  -0.133695D+01 -0.334748D+01  0.660384D+01 -0.653290D+01  0.273398D+01
               121           122           123           124           125 
      1  -0.344586D-01 -0.733501D+00 -0.521692D+00 -0.329818D+00  0.165052D+01
      2  -0.205575D+01  0.246670D+01 -0.417354D+01  0.518487D+01 -0.248656D+01
      3  -0.417924D+01  0.408046D+01 -0.269168D+01  0.312338D+01 -0.476173D+01
               126           127           128           129           130 
      1  -0.652707D-01  0.560145D+00 -0.285628D+00 -0.685484D+00  0.267501D-01
      2   0.526624D+01 -0.264177D+01 -0.174091D-01  0.448529D+01  0.110724D+00
      3   0.313424D+01  0.146760D+01 -0.168851D+01 -0.560905D+00 -0.683998D+00
               131           132           133           134           135 
      1   0.703421D+00 -0.280132D+00 -0.896704D+00  0.327187D+01  0.287597D+01
      2  -0.200310D+01 -0.279208D+01  0.364564D+01 -0.127639D+01 -0.197403D+02
      3   0.150866D+00  0.183602D+01 -0.545932D+00  0.438879D+01  0.244101D+01
               136           137           138           139           140 
      1  -0.180071D+00 -0.324465D+00 -0.486645D+00 -0.173587D+00 -0.794250D+00
      2   0.124308D+01 -0.271915D-01  0.119703D+01 -0.142307D+00  0.202194D+01
      3  -0.213579D+01 -0.246889D+01  0.197686D-01  0.140294D+00 -0.224089D+02
               141           142           143           144           145 
      1  -0.283402D+01 -0.650054D+00  0.361000D+00 -0.426607D-01  0.333734D+01
      2   0.358267D+01  0.333361D+00  0.213932D+01 -0.236035D+00  0.972669D+00
      3  -0.188006D+01  0.314223D+00 -0.256756D+01 -0.143571D+01 -0.624236D+01
               146           147           148           149           150 
      1  -0.110952D+01  0.438344D+01 -0.160605D+01  0.206737D+01 -0.357214D+01
      2  -0.108289D+01  0.342396D+01 -0.403268D+00  0.137750D+01 -0.209992D+01
      3  -0.507268D+00 -0.243458D+01  0.420735D+01 -0.389386D+00  0.348752D+00
               151           152           153           154           155 
      1   0.288202D+01 -0.149467D+01  0.278930D+01  0.273371D+01  0.421929D+00
      2   0.247499D+00 -0.190418D+01  0.191918D+01  0.286044D+01  0.610785D+00
      3  -0.414903D+01 -0.930793D+00 -0.885092D+00  0.164836D+02  0.546288D+01
               156           157           158           159           160 
      1  -0.335472D+01  0.719486D+00  0.111689D+01 -0.269086D+01 -0.208626D+01
      2   0.394141D+00  0.714741D+00  0.105766D+01 -0.271628D-01 -0.248132D+01
      3  -0.372677D+01  0.789890D+01  0.528410D+01 -0.202114D+01 -0.484575D+01
               161           162           163           164           165 
      1  -0.820728D+00  0.107383D+01 -0.109337D+01  0.619688D-01  0.103257D+01
      2  -0.942294D+00  0.321423D+00 -0.535627D+00  0.146419D+00  0.116771D+01
      3  -0.195927D+01  0.287774D+01  0.972817D+00  0.298689D+00  0.752200D+00
               166           167           168           169           170 
      1   0.204275D+00 -0.211637D+01 -0.387580D+01  0.121187D+01 -0.172884D+01
      2  -0.228092D+00 -0.118264D+01 -0.121638D+01 -0.216597D+01 -0.256638D+01
      3   0.191810D+01  0.567647D+00  0.104169D+01  0.276801D+01  0.303217D+01
               171 
      1  -0.143032D+02
      2  -0.732946D+01
      3   0.177340D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.946549D+01  0.108201D+02 -0.743432D+01  0.874034D+01 -0.113168D+02
      2  -0.164212D+02 -0.425329D+01  0.310182D+01 -0.290300D+01  0.152997D+02
      3   0.695571D+01 -0.656679D+01  0.433250D+01 -0.583734D+01 -0.398289D+01
      4   0.723842D+01 -0.194946D+02  0.128040D+02 -0.171863D+02 -0.300429D+01
      5  -0.696819D+01  0.588057D+01 -0.453346D+01  0.401834D+01 -0.346153D+01
      6   0.154288D+02 -0.167920D+01  0.381299D+01 -0.171707D+01  0.755906D+01
                 6             7             8             9            10 
      1  -0.720214D+00 -0.809082D+01  0.712069D-01  0.462612D+01 -0.113623D+02
      2   0.519925D+01  0.204812D+01  0.661105D+01 -0.493577D+01  0.846852D+01
      3  -0.447904D+01  0.604270D+01 -0.668226D+01  0.309644D+00  0.289382D+01
      4  -0.391732D+01  0.124391D+02 -0.600435D+01  0.949753D+01 -0.123463D+02
      5   0.553907D+01 -0.568594D+01  0.734058D+01  0.117267D+02  0.524577D+01
      6  -0.864914D+01  0.494794D+01 -0.126336D+02 -0.185167D+02 -0.210802D+01
                11            12            13            14            15 
      1  -0.127792D+02  0.342538D+01 -0.160471D+02  0.919743D+01  0.195485D+01
      2   0.668730D+01 -0.402190D+01  0.967171D+01 -0.102613D+02  0.656930D-01
      3   0.609195D+01  0.596512D+00  0.637537D+01  0.106383D+01 -0.202054D+01
      4   0.442073D+01 -0.909464D+00  0.528359D+01  0.817884D+01  0.175891D+01
      5  -0.127740D-01  0.289359D+01  0.667185D-01  0.165165D+01 -0.427427D+01
      6   0.397873D+00 -0.129591D+01  0.808862D+00 -0.216689D+01  0.511340D+00
                16            17            18            19            20 
      1   0.849951D+01  0.271997D+01  0.930372D+01 -0.113792D+02 -0.267535D+01
      2  -0.460056D+01 -0.425740D+00  0.577832D+01  0.113071D+02  0.486714D+01
      3  -0.389895D+01 -0.229423D+01 -0.150820D+02  0.720237D-01 -0.219179D+01
      4  -0.132232D+01  0.205242D+01 -0.414254D+01  0.161458D+01  0.151795D+01
      5   0.736315D+01 -0.359141D+01 -0.177442D+02  0.575305D+01  0.892803D+00
      6  -0.597054D+00  0.437619D+01  0.990050D-01  0.135844D+01 -0.314787D+00
                21            22            23            24            25 
      1   0.196443D+01  0.728439D+01  0.106499D+02  0.500076D+01 -0.349844D+01
      2  -0.274564D+01 -0.663040D+01 -0.188982D+02 -0.270014D+01 -0.175418D+00
      3   0.781208D+00 -0.653986D+00  0.824836D+01 -0.230062D+01  0.367386D+01
      4   0.204295D+01 -0.888196D+01  0.747588D+00  0.138613D+01  0.113818D+01
      5   0.243081D-01  0.311483D+01  0.419619D+01  0.276869D+00  0.645253D+00
      6   0.207717D+00  0.170390D+01 -0.473594D+00 -0.230951D+01 -0.123473D+00
                26            27            28            29            30 
      1   0.321999D+01  0.612369D+01 -0.978354D+01 -0.176851D+01 -0.704301D+01
      2  -0.359069D+01  0.794690D+01  0.110030D+02  0.265120D+01  0.639804D+01
      3   0.370702D+00 -0.140706D+02 -0.121946D+01 -0.882684D+00  0.644964D+00
      4  -0.207514D+01  0.248456D+00 -0.517721D+01 -0.518580D+01 -0.637383D+01
      5   0.817046D+00  0.236506D+01 -0.176064D+02 -0.736023D+01 -0.191941D+02
      6   0.203944D+01  0.577266D+01 -0.492467D+01 -0.354797D+01 -0.562937D+01
                31            32            33            34            35 
      1  -0.531868D+01 -0.468136D+01 -0.352323D+01 -0.207125D+02 -0.807298D+01
      2   0.225028D+01  0.694457D+01  0.516502D+01  0.915809D+01  0.292114D+00
      3   0.306840D+01 -0.226321D+01 -0.164178D+01  0.115544D+02  0.778087D+01
      4   0.275554D+01 -0.998773D+01 -0.267521D+01 -0.130176D+02 -0.562276D+01
      5  -0.106756D+02 -0.633569D+01 -0.108541D+02 -0.191364D+02 -0.298499D+01
      6  -0.152901D+01 -0.557811D+01  0.224382D+00 -0.528902D+00 -0.879918D+01
                36            37            38            39            40 
      1  -0.234788D+01 -0.177172D+02 -0.736838D+01  0.463788D+01 -0.119188D+02
      2   0.751823D+01  0.774946D+01  0.284119D+01 -0.145460D+01  0.726262D+01
      3  -0.517035D+01  0.996774D+01  0.452719D+01 -0.318328D+01  0.465619D+01
      4  -0.274356D+01 -0.117803D+02 -0.176425D+00  0.572894D+01 -0.444270D+00
      5  -0.483098D+01  0.110823D+02  0.787144D+01  0.113485D+01  0.918852D+01
      6  -0.277582D+01  0.563784D+01  0.919343D+00 -0.207760D+01  0.194670D+01
                41            42            43            44            45 
      1  -0.611148D+01  0.520756D+01  0.139399D+01  0.693401D+00 -0.121341D+02
      2   0.501903D+01 -0.437318D+01  0.413117D+01  0.298832D+01 -0.109331D+02
      3   0.109244D+01 -0.834388D+00 -0.552516D+01 -0.368172D+01  0.230672D+02
      4  -0.386018D+01 -0.410340D+01  0.489441D+01 -0.370537D+01 -0.359966D+01
      5  -0.264750D+01 -0.429826D+01  0.105390D+02 -0.275614D+01 -0.205098D+02
      6   0.157540D+01  0.588594D+01 -0.245676D+01  0.863227D+01 -0.151606D+01
                46            47            48            49            50 
      1   0.397573D-02  0.213476D+02 -0.169206D+02  0.257253D+02 -0.293796D+01
      2   0.900948D+00 -0.127743D+02  0.797380D+01 -0.168938D+02 -0.471835D+01
      3  -0.904924D+00 -0.857328D+01  0.894682D+01 -0.883150D+01  0.765632D+01
      4   0.213511D+02 -0.224279D+01  0.241777D+01 -0.625000D+01 -0.249598D+02
      5  -0.187960D+02  0.315948D+01 -0.130048D+02  0.420319D+01 -0.891316D+01
      6  -0.372368D-01 -0.316508D+00  0.419517D+00 -0.147342D+01 -0.212493D+01
                51            52            53            54            55 
      1   0.569583D+01 -0.228015D+02  0.367325D+01 -0.120629D+02  0.150340D+02
      2  -0.304528D+01  0.929134D+01 -0.195011D+01  0.139308D+02 -0.137427D+02
      3  -0.265054D+01  0.135102D+02 -0.172314D+01 -0.186797D+01 -0.129129D+01
      4  -0.711034D+01  0.341223D+01 -0.627556D+01  0.799723D+01  0.919913D+01
      5   0.103596D+02 -0.194748D+02  0.874498D+01  0.270886D+02 -0.219633D+01
      6   0.110307D+01  0.264519D+00 -0.643505D+00  0.145367D+01  0.510647D+01
                56            57            58            59            60 
      1  -0.426350D+01  0.442610D+00 -0.651776D+01 -0.176484D+02 -0.377476D+01
      2   0.921900D+01 -0.263580D+01  0.122760D+02  0.296711D+02  0.504751D+01
      3  -0.495550D+01  0.219319D+01 -0.575827D+01 -0.120227D+02 -0.127275D+01
      4  -0.451959D+01  0.379378D+01  0.206888D+01  0.110422D+02 -0.391937D+01
      5   0.216072D+01  0.104886D+01  0.774938D-01 -0.343903D+01  0.167138D+01
      6  -0.456793D+01  0.116667D+02 -0.491268D+01  0.563766D+01  0.931873D+00
                61            62            63            64            65 
      1   0.197536D+01 -0.536677D+00  0.264369D+01  0.392260D+02  0.909233D+01
      2  -0.281161D+01  0.484391D+01 -0.289171D+01 -0.259886D+02 -0.523550D+01
      3   0.836248D+00 -0.430724D+01  0.248021D+00 -0.132374D+02 -0.385683D+01
      4   0.446925D+01 -0.367899D+01  0.972261D+01  0.130972D+02  0.154068D+02
      5   0.168142D+01  0.335490D+01  0.345217D+00  0.275090D+02  0.660392D+01
      6   0.129789D+02 -0.278469D+01 -0.129335D+02  0.503406D+01  0.655846D+01
                66            67            68            69            70 
      1   0.124788D+02  0.587362D+01  0.500687D+00 -0.678378D+00  0.188398D+02
      2  -0.118046D+02 -0.113546D+01  0.571914D+01  0.160632D-01 -0.172187D+02
      3  -0.674227D+00 -0.473816D+01 -0.621983D+01  0.662315D+00 -0.162110D+01
      4   0.647537D+01  0.167585D+02  0.171782D+02  0.109391D+02  0.911222D+01
      5   0.278857D+02  0.848353D+01  0.125985D+02  0.114052D+02  0.282842D+02
      6   0.502493D+01  0.473959D+01  0.891139D+01  0.113707D+02  0.511996D+01
                71            72            73            74            75 
      1   0.357940D+01  0.103490D+01  0.975004D+00 -0.234257D+00  0.201924D+00
      2  -0.419615D+01 -0.148320D+02 -0.396924D+01  0.128909D+00  0.135358D+01
      3   0.616755D+00  0.137971D+02  0.299424D+01  0.105348D+00 -0.155551D+01
      4   0.110067D+02  0.743419D+01  0.512156D+00  0.139439D+01 -0.115602D+01
      5   0.942994D+01  0.344941D+02 -0.223416D+01 -0.305180D+00  0.601434D+01
      6   0.123892D+02  0.891087D+01 -0.121177D+01 -0.732872D+00  0.927592D+00
                76            77            78            79            80 
      1   0.802491D-01 -0.398836D+01 -0.434391D+00  0.459538D+00  0.152156D+01
      2   0.194721D+00  0.131096D+01 -0.148236D+01  0.187935D+01 -0.213085D+01
      3  -0.274970D+00  0.267740D+01  0.191675D+01 -0.233888D+01  0.609290D+00
      4   0.172382D+01 -0.307779D+00 -0.497453D+00 -0.592917D+00 -0.793926D-01
      5  -0.952685D-02 -0.958658D+00 -0.570596D+00  0.443797D+01  0.285470D+00
      6  -0.531585D+00 -0.254235D+00  0.542081D+01  0.248703D+00  0.408188D+01
                81            82            83            84            85 
      1  -0.148118D+02  0.108844D+01  0.222440D+01  0.277765D+01  0.272495D+01
      2  -0.135573D+02 -0.385162D+01 -0.869654D+00  0.939068D-01 -0.153289D+01
      3   0.283691D+02  0.276318D+01 -0.135475D+01 -0.287156D+01 -0.119206D+01
      4   0.807649D+00  0.210841D+01  0.665393D+00  0.991467D-01  0.104971D+01
      5  -0.312943D+01  0.868618D+00  0.210720D+00  0.434205D+01  0.134846D+00
      6  -0.701262D+01  0.532185D-01 -0.349774D+00 -0.347961D+00 -0.232747D+00
                86            87            88            89            90 
      1  -0.452375D+01 -0.135313D+01  0.435171D+01 -0.631381D+00 -0.160881D+02
      2   0.129387D+01 -0.137278D+01 -0.156915D+01 -0.231361D+01 -0.144251D+02
      3   0.322988D+01  0.272591D+01 -0.278255D+01  0.294499D+01  0.305133D+02
      4  -0.345984D+00  0.216329D+01  0.396999D+00  0.304477D+01  0.224735D+01
      5   0.233020D+01  0.193665D+01  0.306934D+01  0.167554D+01  0.167189D+02
      6   0.172121D+01  0.625455D+01  0.341784D-01  0.394800D+01  0.161431D+00
                91            92            93            94            95 
      1   0.356828D+02  0.787237D+01 -0.117964D+02  0.955952D+01  0.463214D+01
      2  -0.204509D+02 -0.396910D+01  0.876465D+01 -0.428809D+01 -0.987508D+00
      3  -0.152319D+02 -0.390328D+01  0.303172D+01 -0.527143D+01 -0.364464D+01
      4   0.107545D+02  0.745084D+01 -0.438610D+01  0.100915D+02  0.599363D+01
      5  -0.234905D+02 -0.599561D+01  0.149476D+02 -0.849764D+01 -0.541242D+01
      6  -0.529179D+01 -0.331906D+01  0.299129D+01 -0.405565D+01 -0.281727D+01
                96            97            98            99           100 
      1  -0.380876D+01 -0.144651D+01 -0.115324D-01  0.244957D+01 -0.209715D+01
      2   0.273478D+01  0.348550D+01  0.763768D+00 -0.411680D+01  0.807605D+01
      3   0.107398D+01 -0.203899D+01 -0.752236D+00  0.166722D+01 -0.597890D+01
      4  -0.423376D+01 -0.100266D+01 -0.119766D+01  0.154581D+01 -0.117463D+02
      5   0.583193D+01  0.759711D+01  0.195776D+01 -0.797999D+01  0.344790D+01
      6   0.318032D+01  0.129619D+01  0.156812D+01 -0.176442D+01 -0.688628D+01
               101           102           103           104           105 
      1   0.694003D+01 -0.199871D+01  0.432541D+01 -0.109786D+02  0.339224D+01
      2  -0.144282D+02  0.392812D+01 -0.960568D+01  0.201139D+02 -0.612939D+01
      3   0.748814D+01 -0.192941D+01  0.528027D+01 -0.913532D+01  0.273715D+01
      4   0.155275D+02 -0.618843D+01  0.124339D+02 -0.124658D+02  0.494332D+01
      5  -0.324346D+01  0.371505D+01 -0.151895D+01  0.273380D+01 -0.173770D+01
      6   0.811214D+01 -0.731426D+01  0.611010D+01 -0.909843D+01  0.765967D+01
               106           107           108           109           110 
      1  -0.325744D+01  0.676338D+01 -0.541592D+01 -0.156006D+01  0.191600D+01
      2   0.457197D+01 -0.950239D+01  0.469368D+01  0.202477D+01 -0.286320D+01
      3  -0.131453D+01  0.273901D+01  0.722242D+00 -0.464717D+00  0.947198D+00
      4  -0.801842D+01  0.768744D+01 -0.659568D+01 -0.158689D+01  0.439944D+01
      5   0.372507D+01 -0.317507D+01  0.336552D+01 -0.128113D+01  0.102196D+01
      6  -0.770874D+01  0.113326D+02 -0.939552D+01  0.184988D+01 -0.316019D+01
               111           112           113           114           115 
      1   0.151489D+01  0.670703D+00 -0.399759D+01 -0.245852D+01  0.127646D+01
      2  -0.135073D+01 -0.114081D+01  0.539239D+01  0.352636D+01 -0.118635D+01
      3  -0.164159D+00  0.470111D+00 -0.139481D+01 -0.106784D+01 -0.901059D-01
      4   0.219750D+01  0.355252D+01 -0.172704D+01 -0.214410D+01  0.469921D+01
      5   0.257710D+01  0.270340D+00 -0.116772D+01 -0.988488D+00  0.248183D+01
      6  -0.503294D+01 -0.238493D+01  0.406036D+01  0.668970D+01 -0.523763D+01
               116           117           118           119           120 
      1  -0.772679D+01 -0.949559D+01  0.511783D+02 -0.109339D+02  0.157880D+02
      2   0.849078D+01  0.211222D+01 -0.280175D+02  0.573503D+01 -0.944323D+01
      3  -0.763990D+00  0.738338D+01 -0.231608D+02  0.519886D+01 -0.634473D+01
      4  -0.354565D+01 -0.404306D+01 -0.107990D+02  0.102841D+02 -0.359048D+01
      5  -0.164507D+01 -0.361012D+01  0.186596D+02 -0.424892D+01  0.152782D+02
      6   0.109750D+02  0.234061D+02 -0.320010D+00  0.744087D+00 -0.747709D-01
               121           122           123           124           125 
      1  -0.212963D+02  0.750206D+01 -0.485217D+01  0.246676D+02 -0.360621D+01
      2   0.114722D+02 -0.185734D+01  0.297788D+01 -0.150420D+02  0.235540D+01
      3   0.982409D+01 -0.564472D+01  0.187428D+01 -0.962563D+01  0.125081D+01
      4   0.122214D+02 -0.754755D+01  0.566306D+01 -0.470218D+01  0.754722D+01
      5  -0.677712D+01  0.585262D+01 -0.790856D+01  0.185539D+02 -0.548273D+01
      6   0.142308D+01 -0.152658D+01  0.180919D+01 -0.682506D+00  0.218056D+01
               126           127           128           129           130 
      1   0.113884D+02  0.831595D+01 -0.244703D+01 -0.576737D+01 -0.589744D+01
      2  -0.104052D+02 -0.703369D+01  0.168691D+01  0.484494D+01  0.393191D+01
      3  -0.983191D+00 -0.128226D+01  0.760117D+00  0.922432D+00  0.196553D+01
      4  -0.477637D+01 -0.199857D+01  0.242592D+01  0.229257D-01  0.406086D+01
      5   0.129783D+02 -0.728976D+01  0.366616D+00  0.119631D+02  0.210940D+01
      6  -0.128235D+01  0.227016D-01 -0.145916D+00  0.665377D+00 -0.139434D+01
               131           132           133           134           135 
      1   0.149061D+00 -0.107172D+00 -0.129669D+02 -0.881628D+00  0.312248D+01
      2  -0.541206D-01 -0.130819D+01  0.114331D+02 -0.290420D+00 -0.171655D+02
      3  -0.949402D-01  0.141537D+01  0.153384D+01  0.117205D+01  0.140430D+02
      4   0.189484D+00 -0.449540D+01 -0.685507D+00 -0.740609D+01 -0.260490D+01
      5  -0.414700D+01 -0.550992D+01  0.201220D+02 -0.244100D+01 -0.400313D+02
      6   0.133582D+01  0.381051D+01  0.349385D+00  0.439745D+01 -0.172346D+01
               136           137           138           139           140 
      1   0.300934D+01  0.333087D+01  0.234363D+01  0.113037D+02 -0.857263D+00
      2   0.806765D+00  0.725624D+00 -0.103273D+01 -0.280058D+01  0.154887D+02
      3  -0.381611D+01 -0.405650D+01 -0.131089D+01 -0.850312D+01 -0.146314D+02
      4   0.549286D+01  0.945392D+01  0.540468D+00  0.155784D+02  0.401278D+02
      5   0.223944D+01  0.279716D+00  0.246292D+01  0.356028D+00  0.437014D+01
      6   0.241545D+00 -0.477182D-01  0.513733D+00  0.747164D+00  0.206771D+01
               141           142           143           144           145 
      1  -0.868755D+00  0.435402D+01 -0.806046D+00  0.687567D+00  0.132392D+02
      2   0.149784D+01 -0.197365D+01  0.123641D+01 -0.698162D+00  0.850780D+00
      3  -0.629084D+00 -0.238036D+01 -0.430369D+00  0.105954D-01 -0.140900D+02
      4   0.358805D+01  0.123213D+01  0.442856D+01  0.396465D+01 -0.258272D+02
      5   0.655712D+01  0.502106D+01  0.455951D+01 -0.340515D+00  0.895580D+01
      6   0.467482D+01  0.128989D+01  0.521824D+01  0.155256D+01 -0.898900D+01
               146           147           148           149           150 
      1  -0.231577D+01  0.310477D+01 -0.211040D+01 -0.261107D+01  0.145157D+01
      2  -0.946281D+01 -0.448777D-01 -0.669861D+01  0.140046D+02 -0.475717D+01
      3   0.117786D+02 -0.305989D+01  0.880901D+01 -0.113935D+02  0.330560D+01
      4   0.235187D+02 -0.987924D+01  0.180759D+02 -0.191237D+02  0.727988D+01
      5  -0.564612D+01  0.819634D+01 -0.394214D+01  0.558032D+01 -0.450253D+01
      6   0.700314D+01 -0.867192D+01  0.545741D+01 -0.868083D+01  0.794029D+01
               151           152           153           154           155 
      1   0.438301D+01  0.258509D+01 -0.795639D+00 -0.806776D+01 -0.134011D+02
      2  -0.611452D+00 -0.723200D+01  0.931451D+00  0.998780D+01  0.172941D+02
      3  -0.377156D+01  0.464691D+01 -0.135813D+00 -0.192004D+01 -0.389307D+01
      4  -0.119827D+02  0.111795D+02 -0.948872D+01  0.152530D+02  0.771734D+01
      5   0.838475D+01 -0.647778D+01  0.708897D+01 -0.124131D+01 -0.132028D+01
      6  -0.771084D+01  0.101500D+02 -0.762554D+01 -0.689680D+01 -0.491294D+01
               156           157           158           159           160 
      1   0.439495D+01 -0.851954D+01 -0.105169D+02  0.333869D+01  0.450508D+01
      2  -0.329370D+01  0.107547D+02  0.154041D+02 -0.428016D+01 -0.258261D+01
      3  -0.110125D+01 -0.223520D+01 -0.488717D+01  0.941472D+00 -0.192247D+01
      4  -0.469682D+01  0.913069D+01  0.547821D+01 -0.145760D+01 -0.553669D+01
      5   0.169276D+01 -0.610768D+00 -0.180337D+00 -0.229068D+00  0.269549D+01
      6   0.631504D+01 -0.349810D+01 -0.514879D+01  0.570385D+01  0.440188D+01
               161           162           163           164           165 
      1   0.533708D+01 -0.519596D+01 -0.451715D+00 -0.157665D+01 -0.138585D+01
      2  -0.665573D+01  0.305697D+01  0.900442D+00  0.129573D+00  0.100459D+01
      3   0.131865D+01  0.213899D+01 -0.448727D+00  0.144708D+01  0.381256D+00
      4  -0.597332D+00  0.155877D+01 -0.252457D+01  0.542842D+01  0.235548D+01
      5  -0.672796D+00 -0.175990D+01 -0.211137D+01  0.982614D+00  0.493486D+01
      6   0.705043D+01 -0.344883D+01  0.193263D+01 -0.640164D+00 -0.210013D+01
               166           167           168           169           170 
      1  -0.552214D+00 -0.445661D+01 -0.432732D+01 -0.229625D+01 -0.875642D+01
      2  -0.404824D+00  0.510449D+01  0.494888D+01  0.140864D+01  0.984061D+01
      3   0.957038D+00 -0.647882D+00 -0.621555D+00  0.887616D+00 -0.108419D+01
      4   0.407697D+01 -0.277116D+01 -0.262130D+01  0.506734D+01 -0.675832D+01
      5   0.848060D-02 -0.265037D+01 -0.270437D+01  0.579516D+01 -0.610372D+01
      6  -0.660805D+00  0.629905D+01  0.101669D+02 -0.305064D+01  0.145137D+02
               171 
      1  -0.112851D+02
      2  -0.260807D+00
      3   0.115459D+02
      4  -0.702977D+01
      5  -0.156888D+02
      6   0.279365D+02
 Leave Link  716 at Sun Sep 26 19:59:30 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.860997D+02  0.283503D+01  0.546460D+00
      2   0.283503D+01  0.779922D+02  0.129799D+01
      3   0.546460D+00  0.129799D+01  0.723793D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.469147D+00 -0.500744D+01  0.232232D+01
      2   0.199724D+01 -0.318284D+01  0.205678D+02
      3   0.588661D+01 -0.371871D+02  0.322130D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.750216D+02 -0.182804D+02  0.520171D+01
      2  -0.304062D+02  0.166097D+02  0.346338D+01
      3  -0.446154D+02  0.167067D+01 -0.866508D+01
      4  -0.231947D+02  0.649846D+02 -0.787290D+01
      5  -0.289236D+00 -0.883390D+01  0.245592D+02
      6  -0.261773D+01 -0.195058D+01 -0.127420D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.102542D+01  0.464258D+01 -0.316273D+01  0.421039D+01 -0.643717D+00
      2   0.464258D+01 -0.903282D+00  0.398098D+00 -0.643717D+00 -0.308163D+01
      3  -0.316273D+01  0.398098D+00 -0.890108D+00  0.302961D+00 -0.115671D+01
                 6             7             8             9            10 
      1   0.302961D+00 -0.353109D+01  0.517973D+00 -0.114498D+01  0.302397D+00
      2  -0.115671D+01  0.517973D+00 -0.180531D+01  0.276103D+01 -0.407462D+01
      3   0.212100D+01 -0.114498D+01  0.276103D+01  0.499739D+01  0.186388D+01
                11            12            13            14            15 
      1  -0.407462D+01  0.186388D+01 -0.561192D+01  0.939280D+00 -0.168103D+00
      2   0.129479D+01  0.172439D-01  0.939280D+00  0.431269D+01  0.761926D+00
      3   0.172439D-01  0.131498D+01 -0.168103D+00  0.761926D+00 -0.149351D+01
                16            17            18            19            20 
      1   0.349892D+01 -0.908510D-01  0.183650D+01 -0.126216D+01  0.396902D+01
      2  -0.908510D-01  0.127941D+01 -0.182289D+01  0.396902D+01 -0.172359D+00
      3   0.183650D+01 -0.182289D+01 -0.764833D+01 -0.225813D+01 -0.241223D+00
                21            22            23            24            25 
      1  -0.225813D+01  0.294333D+01 -0.170875D+01 -0.371887D+00 -0.262264D+01
      2  -0.241223D+00 -0.170875D+01 -0.414797D+01 -0.135809D+01  0.854022D-01
      3  -0.926926D+00 -0.371887D+00 -0.135809D+01  0.114423D+01 -0.132566D+01
                26            27            28            29            30 
      1   0.854022D-01 -0.132566D+01  0.982510D+00  0.364361D+00  0.344713D+01
      2  -0.160233D+01  0.921561D+00  0.364361D+00  0.282087D+01  0.137950D+01
      3   0.921561D+00  0.642265D+01  0.344713D+01  0.137950D+01  0.271363D+01
                31            32            33            34            35 
      1   0.156437D+01  0.129607D+01  0.149525D+01  0.475420D+01  0.185113D+01
      2   0.129607D+01  0.671887D+00  0.152760D+01  0.185113D+01  0.219938D+01
      3   0.149525D+01  0.152760D+01  0.124139D+01  0.204290D+01  0.547235D+00
                36            37            38            39            40 
      1   0.204290D+01  0.544206D+01  0.184308D+01 -0.101343D+01  0.264769D+01
      2   0.547235D+00  0.184308D+01  0.461205D+00 -0.103212D+01  0.468020D+00
      3   0.108668D+00 -0.101343D+01 -0.103212D+01  0.103578D+01 -0.127551D+01
                41            42            43            44            45 
      1   0.468020D+00 -0.127551D+01  0.557332D+00 -0.335144D+00 -0.730509D+00
      2   0.110441D+01  0.923873D+00 -0.335144D+00  0.208517D+01  0.239633D+00
      3   0.923873D+00  0.817865D+00 -0.730509D+00  0.239633D+00  0.489196D+01
                46            47            48            49            50 
      1   0.138197D+00  0.364790D+01 -0.254301D+01  0.449541D+01 -0.119443D+01
      2   0.364790D+01 -0.424519D+00  0.480546D+00 -0.119443D+01 -0.534801D+01
      3  -0.254301D+01  0.480546D+00 -0.223557D+01  0.623444D+00 -0.138957D+01
                51            52            53            54            55 
      1   0.623444D+00 -0.412049D+01  0.398474D+00 -0.313505D+01  0.283105D+01
      2  -0.138957D+01  0.398474D+00 -0.144253D+01  0.152655D+01 -0.235787D+01
      3   0.178610D+01 -0.313505D+01  0.152655D+01  0.522488D+01  0.121946D+01
                56            57            58            59            60 
      1  -0.235787D+01  0.121946D+01 -0.618651D+00  0.241139D+01 -0.432700D+00
      2   0.241518D+01 -0.657249D+00  0.241139D+01  0.432588D+01  0.110590D+01
      3  -0.657249D+00  0.246195D+01 -0.432700D+00  0.110590D+01 -0.103116D+01
                61            62            63            64            65 
      1   0.179583D+01 -0.828259D+00  0.271301D+01 -0.741295D+01 -0.271115D+01
      2  -0.828259D+00  0.995210D+00 -0.107291D+01 -0.271115D+01 -0.313751D+01
      3   0.271301D+01 -0.107291D+01 -0.329286D+01 -0.411810D+01 -0.105728D+01
                66            67            68            69            70 
      1  -0.411810D+01 -0.323924D+01 -0.229710D+01 -0.114231D+01 -0.574811D+01
      2  -0.105728D+01 -0.229710D+01 -0.310817D+01 -0.271594D+01 -0.185310D+01
      3  -0.353379D+01 -0.114231D+01 -0.271594D+01 -0.198464D+01 -0.379353D+01
                71            72            73            74            75 
      1  -0.185310D+01 -0.379353D+01  0.678775D+00 -0.519725D+00 -0.872723D+00
      2  -0.384748D+01 -0.196896D+01 -0.519725D+00  0.411735D+00 -0.408904D-03
      3  -0.196896D+01 -0.692972D+01 -0.872723D+00 -0.408904D-03  0.923446D+00
                76            77            78            79            80 
      1  -0.669076D+00  0.231656D+00  0.410359D-01 -0.141970D+01  0.152901D+00
      2   0.231656D+00  0.371349D+00 -0.950327D+00  0.152901D+00 -0.140009D+01
      3   0.410359D-01 -0.950327D+00 -0.371028D+00  0.445878D+00  0.441690D-01
                81            82            83            84            85 
      1   0.445878D+00 -0.728427D+00  0.867762D+00  0.935903D+00  0.984227D+00
      2   0.441690D-01  0.867762D+00 -0.370084D+00 -0.214619D-01 -0.250301D+00
      3  -0.705371D+01  0.935903D+00 -0.214619D-01 -0.543017D+00 -0.122054D-01
                86            87            88            89            90 
      1  -0.250301D+00 -0.122054D-01  0.147084D+01 -0.886308D-01 -0.364364D+00
      2  -0.962780D-01  0.112548D+01 -0.886308D-01  0.168399D+01  0.817230D+00
      3   0.112548D+01  0.978495D+00 -0.364364D+00  0.817230D+00  0.797784D+01
                91            92            93            94            95 
      1  -0.749593D+01 -0.184783D+01  0.299761D+01 -0.256611D+01 -0.149620D+01
      2  -0.184783D+01 -0.137962D+01  0.765034D+00 -0.149620D+01 -0.976101D+00
      3   0.299761D+01  0.765034D+00 -0.246452D+01  0.115783D+01  0.860135D+00
                96            97            98            99           100 
      1   0.115783D+01  0.980103D+00  0.219568D+00 -0.103462D+01 -0.236388D+01
      2   0.860135D+00  0.219568D+00  0.408424D+00 -0.311705D+00  0.265461D+01
      3  -0.105677D+01 -0.103462D+01 -0.311705D+00  0.156153D+01 -0.117170D+01
               101           102           103           104           105 
      1   0.265461D+01 -0.117170D+01  0.222064D+01 -0.230603D+01  0.905728D+00
      2  -0.346155D+01  0.117929D+01 -0.230603D+01  0.448338D+01 -0.133855D+01
      3   0.117929D+01 -0.122774D+01  0.905728D+00 -0.133855D+01  0.122449D+01
               106           107           108           109           110 
      1  -0.194748D+01  0.156762D+01 -0.138547D+01 -0.357136D+00  0.744778D+00
      2   0.156762D+01 -0.288703D+01  0.177077D+01  0.744778D+00 -0.702053D+00
      3  -0.138547D+01  0.177077D+01 -0.175732D+01  0.479865D+00 -0.501521D+00
               111           112           113           114           115 
      1   0.479865D+00  0.529307D+00 -0.277409D+00 -0.384940D+00  0.133452D+01
      2  -0.501521D+00 -0.277409D+00  0.118644D+01  0.842566D+00 -0.609495D+00
      3  -0.940636D+00 -0.384940D+00  0.842566D+00  0.936950D+00 -0.111398D+01
               116           117           118           119           120 
      1  -0.609495D+00 -0.111398D+01  0.697019D+01 -0.166109D+01  0.235984D+01
      2   0.257343D+01  0.205112D+01 -0.166109D+01  0.129161D+01 -0.539844D+00
      3   0.205112D+01  0.526149D+01  0.235984D+01 -0.539844D+00  0.187466D+01
               121           122           123           124           125 
      1  -0.345931D+01  0.161553D+01 -0.831091D+00  0.414238D+01 -0.666069D+00
      2   0.161553D+01 -0.879110D+00  0.875209D+00 -0.666069D+00  0.118043D+01
      3  -0.831091D+00  0.875209D+00 -0.107955D+01  0.236660D+01 -0.781489D+00
               126           127           128           129           130 
      1   0.236660D+01  0.130511D+01 -0.368731D+00 -0.103228D+01 -0.105822D+01
      2  -0.781489D+00 -0.368731D+00  0.230216D+00  0.230280D-01  0.525314D+00
      3   0.162526D+01 -0.103228D+01  0.230280D-01  0.118378D+01  0.270303D+00
               131           132           133           134           135 
      1   0.525314D+00  0.270303D+00 -0.268402D+01 -0.772629D-01  0.263864D+01
      2   0.680967D-01 -0.781747D+00 -0.772629D-01 -0.133058D+01 -0.350454D+00
      3  -0.781747D+00 -0.995616D+00  0.263864D+01 -0.350454D+00 -0.688738D+01
               136           137           138           139           140 
      1   0.586127D+00  0.899685D+00  0.378920D+00  0.240187D+01  0.196135D+01
      2   0.899685D+00  0.101299D+01  0.580431D-01  0.196135D+01  0.775851D+01
      3   0.378920D+00  0.580431D-01  0.304707D+00  0.602127D-01  0.638679D+00
               141           142           143           144           145 
      1   0.602127D-01  0.802063D+00  0.175604D+00  0.703705D+00  0.435223D+01
      2   0.638679D+00  0.175604D+00  0.917429D+00  0.835436D+00 -0.305345D+01
      3   0.104365D+01  0.703705D+00  0.835436D+00 -0.417223D-01  0.174909D+01
               146           147           148           149           150 
      1  -0.305345D+01  0.174909D+01 -0.229411D+01  0.230262D+01 -0.819819D+00
      2   0.348158D+01 -0.108089D+01  0.230262D+01 -0.327409D+01  0.133994D+01
      3  -0.108089D+01  0.155831D+01 -0.819819D+00  0.133994D+01 -0.117830D+01
               151           152           153           154           155 
      1   0.223699D+01 -0.126060D+01  0.148231D+01 -0.518060D+01 -0.220282D+01
      2  -0.126060D+01  0.232738D+01 -0.164968D+01 -0.220282D+01 -0.322606D+01
      3   0.148231D+01 -0.164968D+01  0.135871D+01  0.132763D+01  0.693664D+00
               156           157           158           159           160 
      1   0.132763D+01 -0.193664D+01 -0.178219D+01  0.517932D+00  0.169249D+01
      2   0.693664D+00 -0.178219D+01 -0.237625D+01  0.821100D+00  0.558711D+00
      3  -0.111979D+01  0.517932D+00  0.821100D+00 -0.880176D+00 -0.846333D+00
               161           162           163           164           165 
      1   0.558711D+00 -0.846333D+00  0.187010D+00 -0.836485D+00 -0.587214D+00
      2   0.147479D+01 -0.113100D+01 -0.836485D+00  0.356855D+00  0.137553D+00
      3  -0.113100D+01  0.578539D+00 -0.587214D+00  0.137553D+00  0.510844D+00
               166           167           168           169           170 
      1  -0.543946D+00  0.204910D+00  0.638592D-01 -0.119214D+01  0.282028D+00
      2   0.204910D+00 -0.995045D+00 -0.113148D+01  0.282028D+00 -0.280970D+01
      3   0.638592D-01 -0.113148D+01 -0.122341D+01  0.644964D+00 -0.242564D+01
               171 
      1   0.644964D+00
      2  -0.242564D+01
      3  -0.639788D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.654853D+01  0.717569D+00 -0.162183D+01  0.375717D+00 -0.501589D+01
      2  -0.373303D+01  0.104856D+01  0.700288D+00  0.400034D+00 -0.975894D+00
      3  -0.869605D+01 -0.133252D+02  0.643112D+01 -0.735565D+01  0.534001D+01
                 6             7             8             9            10 
      1   0.268616D+01 -0.250671D+01  0.934215D+01  0.103603D+02 -0.464462D+00
      2   0.246291D+01 -0.321948D+01  0.328900D+01  0.593943D+01  0.275973D+01
      3   0.760450D+00  0.711031D+01  0.448462D+00 -0.130602D+01  0.685160D+01
                11            12            13            14            15 
      1  -0.218605D+00  0.369044D+00 -0.112637D+01  0.215306D+01 -0.299958D+01
      2  -0.204795D-01  0.455395D+01 -0.755880D+00  0.694295D+00 -0.198956D+01
      3  -0.329746D+01  0.192018D+00  0.302863D+01 -0.542866D+01 -0.117107D+01
                16            17            18            19            20 
      1   0.733627D+00  0.367464D+01 -0.236625D+01 -0.121733D+01 -0.183225D+01
      2  -0.203686D+01 -0.239309D+01 -0.991085D+01  0.315420D+01 -0.354311D+00
      3   0.169823D+01 -0.200773D+01  0.229672D+01 -0.207017D+01 -0.360309D+01
                21            22            23            24            25 
      1  -0.887525D-01 -0.997289D+00  0.304541D+01  0.210613D+00  0.779512D+00
      2   0.532075D+00  0.178555D+01 -0.561797D+00  0.129258D+00 -0.636195D+01
      3  -0.255934D+00  0.197674D+00 -0.467449D+01  0.182426D+01 -0.279184D+01
                26            27            28            29            30 
      1   0.486679D+01 -0.276408D+01 -0.209725D+01 -0.373470D+01  0.369089D+01
      2   0.120717D+00 -0.810542D+00 -0.322616D+01 -0.109395D+00 -0.117291D+01
      3   0.212488D+01 -0.935335D+00 -0.797674D+01  0.595560D+01  0.756282D+00
                31            32            33            34            35 
      1   0.143302D+01 -0.176568D+01 -0.911470D+01  0.149328D+01 -0.568975D+01
      2   0.305400D+01 -0.192537D+01 -0.641560D+01 -0.113359D+00 -0.280692D+01
      3   0.190953D+02  0.132614D+02 -0.246343D+00 -0.895127D+00 -0.253688D+01
                36            37            38            39            40 
      1   0.384175D+01  0.179809D+01 -0.394461D+00 -0.183623D+00  0.294915D+00
      2  -0.252087D+01 -0.308826D+01  0.708069D-01  0.554602D+00 -0.627914D+00
      3   0.663173D+00  0.339218D+01 -0.814091D+00 -0.158977D+01  0.554966D+00
                41            42            43            44            45 
      1   0.819822D+00 -0.280108D+00 -0.190902D+00  0.541200D+01  0.461747D+00
      2  -0.321950D+01 -0.661845D+00 -0.666215D+01 -0.150876D+01 -0.866650D+01
      3   0.515288D+00  0.287222D+01  0.183290D+00  0.372524D+01  0.916920D+00
                46            47            48            49            50 
      1   0.109854D+01  0.429922D+00  0.531738D+00  0.138082D+01  0.187139D+01
      2  -0.889693D+01  0.134972D+01 -0.521647D+01  0.229891D+01 -0.412813D+01
      3  -0.963191D+01  0.118605D+01 -0.226861D+01  0.947635D+01  0.167693D+02
                51            52            53            54            55 
      1  -0.244281D+01  0.136250D+01  0.131434D+01 -0.249407D+01 -0.137852D+01
      2   0.477440D+01 -0.128329D+02  0.384126D+01  0.143409D+02  0.942020D+00
      3   0.363885D+01 -0.366793D+01  0.451095D+01 -0.587742D+01  0.707392D+01
                56            57            58            59            60 
      1   0.335183D+01 -0.732448D+01  0.255394D+01 -0.410394D+01 -0.230626D+01
      2   0.165598D+01  0.428799D+01  0.692149D-02  0.531244D+00  0.118942D+01
      3  -0.115712D+02  0.165651D+01  0.257771D+01  0.508465D+01 -0.262606D+01
                61            62            63            64            65 
      1  -0.702431D+01  0.782016D+01  0.800191D+01  0.228688D+01  0.652645D+01
      2  -0.157577D+01  0.455198D+00 -0.107941D+01 -0.365273D+00 -0.186454D-01
      3   0.354263D+01 -0.239425D+01  0.662404D+01  0.247143D+01 -0.781634D+01
                66            67            68            69            70 
      1  -0.280260D+01 -0.208844D+00  0.282092D+01 -0.129719D+01  0.660887D+00
      2   0.918492D+01 -0.354899D+01  0.395827D+01  0.542991D+01 -0.250376D+01
      3  -0.603422D+00 -0.304136D+01 -0.833545D+01 -0.261648D+01  0.211720D+00
                71            72            73            74            75 
      1   0.844107D+01 -0.219625D+01  0.920965D+00 -0.349651D+00 -0.367151D+00
      2   0.298494D+01  0.116375D+02  0.735298D+00 -0.514974D+00  0.777189D+00
      3  -0.237242D+01 -0.217482D+01  0.638462D+00 -0.712140D+00 -0.529991D+00
                76            77            78            79            80 
      1  -0.330647D-01  0.375174D+00 -0.314607D+00 -0.587099D+00  0.332115D+01
      2  -0.703918D+00  0.279758D+00 -0.658593D-01 -0.368997D+01  0.261198D+00
      3   0.106070D+01  0.873397D-02 -0.135219D+00 -0.470892D+00  0.112653D+00
                81            82            83            84            85 
      1   0.333175D+01  0.954165D+00 -0.571440D+00 -0.130553D+00 -0.204669D+00
      2   0.685630D+00  0.232818D+01 -0.551671D+00 -0.488482D+00 -0.102013D+01
      3  -0.172999D-04 -0.935638D+00 -0.684063D+00 -0.287052D+00  0.125992D+01
                86            87            88            89            90 
      1   0.719356D+00 -0.316130D+00 -0.596739D+00  0.394953D+01  0.217304D+01
      2   0.177431D+01  0.114464D+01 -0.463976D+01  0.140385D+01  0.981812D+01
      3   0.627228D-01 -0.118289D+01 -0.143004D+00 -0.167722D+01 -0.635976D+00
                91            92            93            94            95 
      1  -0.124546D+01 -0.176289D+01 -0.288010D+00 -0.120895D+01 -0.146073D+01
      2   0.226027D+01  0.290632D+00  0.346619D+01  0.646051D+00 -0.154633D+00
      3  -0.177369D+01 -0.392063D+01  0.101876D+01 -0.154153D+01 -0.264361D+01
                96            97            98            99           100 
      1  -0.230922D+00  0.655895D+00  0.823757D+00 -0.370233D+00  0.259471D+01
      2   0.155461D+01 -0.517044D+00  0.697382D-02 -0.880235D+00 -0.140005D+01
      3   0.929622D+00  0.586339D+00  0.846843D+00 -0.479337D+00 -0.676845D+01
               101           102           103           104           105 
      1  -0.242778D+01  0.400731D+01 -0.243330D+01  0.223967D+01 -0.345511D+01
      2  -0.111562D+00  0.801776D+00  0.229998D+00  0.813133D-02 -0.671630D+00
      3   0.448471D+01 -0.294507D+01  0.702422D+01 -0.474930D+01  0.255991D+01
               106           107           108           109           110 
      1   0.335635D+01 -0.236956D+01  0.369333D+01 -0.148810D+01  0.839239D+00
      2  -0.117157D+01 -0.214087D+00  0.420711D+00  0.726545D+00  0.131867D+00
      3  -0.560890D+01  0.335480D+01 -0.365005D+01 -0.114156D+01  0.553109D+00
               111           112           113           114           115 
      1   0.332449D+01  0.763681D+00 -0.259082D+01 -0.255597D+01  0.314960D+01
      2  -0.133868D+00  0.239312D+00 -0.187242D-01 -0.154237D+00 -0.249195D+01
      3   0.992149D+00  0.141408D+01 -0.107864D+01 -0.967071D+00  0.358027D+01
               116           117           118           119           120 
      1  -0.314471D+01 -0.133516D+02 -0.571451D+00  0.662478D+00 -0.562435D-02
      2   0.179499D+00  0.551281D+00  0.617865D+01 -0.184755D+01  0.767588D+01
      3  -0.133695D+01 -0.334748D+01  0.660384D+01 -0.653290D+01  0.273398D+01
               121           122           123           124           125 
      1  -0.344586D-01 -0.733501D+00 -0.521692D+00 -0.329818D+00  0.165052D+01
      2  -0.205575D+01  0.246670D+01 -0.417354D+01  0.518487D+01 -0.248656D+01
      3  -0.417924D+01  0.408046D+01 -0.269168D+01  0.312338D+01 -0.476173D+01
               126           127           128           129           130 
      1  -0.652707D-01  0.560145D+00 -0.285628D+00 -0.685484D+00  0.267501D-01
      2   0.526624D+01 -0.264177D+01 -0.174091D-01  0.448529D+01  0.110724D+00
      3   0.313424D+01  0.146760D+01 -0.168851D+01 -0.560905D+00 -0.683998D+00
               131           132           133           134           135 
      1   0.703421D+00 -0.280132D+00 -0.896704D+00  0.327187D+01  0.287597D+01
      2  -0.200310D+01 -0.279208D+01  0.364564D+01 -0.127639D+01 -0.197403D+02
      3   0.150866D+00  0.183602D+01 -0.545932D+00  0.438879D+01  0.244101D+01
               136           137           138           139           140 
      1  -0.180071D+00 -0.324465D+00 -0.486645D+00 -0.173587D+00 -0.794250D+00
      2   0.124308D+01 -0.271915D-01  0.119703D+01 -0.142307D+00  0.202194D+01
      3  -0.213579D+01 -0.246889D+01  0.197686D-01  0.140294D+00 -0.224089D+02
               141           142           143           144           145 
      1  -0.283402D+01 -0.650054D+00  0.361000D+00 -0.426607D-01  0.333734D+01
      2   0.358267D+01  0.333361D+00  0.213932D+01 -0.236035D+00  0.972669D+00
      3  -0.188006D+01  0.314223D+00 -0.256756D+01 -0.143571D+01 -0.624236D+01
               146           147           148           149           150 
      1  -0.110952D+01  0.438344D+01 -0.160605D+01  0.206737D+01 -0.357214D+01
      2  -0.108289D+01  0.342396D+01 -0.403268D+00  0.137750D+01 -0.209992D+01
      3  -0.507268D+00 -0.243458D+01  0.420735D+01 -0.389386D+00  0.348752D+00
               151           152           153           154           155 
      1   0.288202D+01 -0.149467D+01  0.278930D+01  0.273371D+01  0.421929D+00
      2   0.247499D+00 -0.190418D+01  0.191918D+01  0.286044D+01  0.610785D+00
      3  -0.414903D+01 -0.930793D+00 -0.885092D+00  0.164836D+02  0.546288D+01
               156           157           158           159           160 
      1  -0.335472D+01  0.719486D+00  0.111689D+01 -0.269086D+01 -0.208626D+01
      2   0.394141D+00  0.714741D+00  0.105766D+01 -0.271628D-01 -0.248132D+01
      3  -0.372677D+01  0.789890D+01  0.528410D+01 -0.202114D+01 -0.484575D+01
               161           162           163           164           165 
      1  -0.820728D+00  0.107383D+01 -0.109337D+01  0.619688D-01  0.103257D+01
      2  -0.942294D+00  0.321423D+00 -0.535627D+00  0.146419D+00  0.116771D+01
      3  -0.195927D+01  0.287774D+01  0.972817D+00  0.298689D+00  0.752200D+00
               166           167           168           169           170 
      1   0.204275D+00 -0.211637D+01 -0.387580D+01  0.121187D+01 -0.172884D+01
      2  -0.228092D+00 -0.118264D+01 -0.121638D+01 -0.216597D+01 -0.256638D+01
      3   0.191810D+01  0.567647D+00  0.104169D+01  0.276801D+01  0.303217D+01
               171 
      1  -0.143032D+02
      2  -0.732946D+01
      3   0.177340D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.946549D+01  0.108201D+02 -0.743432D+01  0.874034D+01 -0.113168D+02
      2  -0.164212D+02 -0.425329D+01  0.310182D+01 -0.290300D+01  0.152997D+02
      3   0.695571D+01 -0.656679D+01  0.433250D+01 -0.583734D+01 -0.398289D+01
      4   0.723842D+01 -0.194946D+02  0.128040D+02 -0.171863D+02 -0.300429D+01
      5  -0.696819D+01  0.588057D+01 -0.453346D+01  0.401834D+01 -0.346153D+01
      6   0.154288D+02 -0.167920D+01  0.381299D+01 -0.171707D+01  0.755906D+01
                 6             7             8             9            10 
      1  -0.720214D+00 -0.809082D+01  0.712069D-01  0.462612D+01 -0.113623D+02
      2   0.519925D+01  0.204812D+01  0.661105D+01 -0.493577D+01  0.846852D+01
      3  -0.447904D+01  0.604270D+01 -0.668226D+01  0.309644D+00  0.289382D+01
      4  -0.391732D+01  0.124391D+02 -0.600435D+01  0.949753D+01 -0.123463D+02
      5   0.553907D+01 -0.568594D+01  0.734058D+01  0.117267D+02  0.524577D+01
      6  -0.864914D+01  0.494794D+01 -0.126336D+02 -0.185167D+02 -0.210802D+01
                11            12            13            14            15 
      1  -0.127792D+02  0.342538D+01 -0.160471D+02  0.919743D+01  0.195485D+01
      2   0.668730D+01 -0.402190D+01  0.967171D+01 -0.102613D+02  0.656930D-01
      3   0.609195D+01  0.596512D+00  0.637537D+01  0.106383D+01 -0.202054D+01
      4   0.442073D+01 -0.909464D+00  0.528359D+01  0.817884D+01  0.175891D+01
      5  -0.127740D-01  0.289359D+01  0.667185D-01  0.165165D+01 -0.427427D+01
      6   0.397873D+00 -0.129591D+01  0.808862D+00 -0.216689D+01  0.511340D+00
                16            17            18            19            20 
      1   0.849951D+01  0.271997D+01  0.930372D+01 -0.113792D+02 -0.267535D+01
      2  -0.460056D+01 -0.425740D+00  0.577832D+01  0.113071D+02  0.486714D+01
      3  -0.389895D+01 -0.229423D+01 -0.150820D+02  0.720237D-01 -0.219179D+01
      4  -0.132232D+01  0.205242D+01 -0.414254D+01  0.161458D+01  0.151795D+01
      5   0.736315D+01 -0.359141D+01 -0.177442D+02  0.575305D+01  0.892803D+00
      6  -0.597054D+00  0.437619D+01  0.990050D-01  0.135844D+01 -0.314787D+00
                21            22            23            24            25 
      1   0.196443D+01  0.728439D+01  0.106499D+02  0.500076D+01 -0.349844D+01
      2  -0.274564D+01 -0.663040D+01 -0.188982D+02 -0.270014D+01 -0.175418D+00
      3   0.781208D+00 -0.653986D+00  0.824836D+01 -0.230062D+01  0.367386D+01
      4   0.204295D+01 -0.888196D+01  0.747588D+00  0.138613D+01  0.113818D+01
      5   0.243081D-01  0.311483D+01  0.419619D+01  0.276869D+00  0.645253D+00
      6   0.207717D+00  0.170390D+01 -0.473594D+00 -0.230951D+01 -0.123473D+00
                26            27            28            29            30 
      1   0.321999D+01  0.612369D+01 -0.978354D+01 -0.176851D+01 -0.704301D+01
      2  -0.359069D+01  0.794690D+01  0.110030D+02  0.265120D+01  0.639804D+01
      3   0.370702D+00 -0.140706D+02 -0.121946D+01 -0.882684D+00  0.644964D+00
      4  -0.207514D+01  0.248456D+00 -0.517721D+01 -0.518580D+01 -0.637383D+01
      5   0.817046D+00  0.236506D+01 -0.176064D+02 -0.736023D+01 -0.191941D+02
      6   0.203944D+01  0.577266D+01 -0.492467D+01 -0.354797D+01 -0.562937D+01
                31            32            33            34            35 
      1  -0.531868D+01 -0.468136D+01 -0.352323D+01 -0.207125D+02 -0.807298D+01
      2   0.225028D+01  0.694457D+01  0.516502D+01  0.915809D+01  0.292114D+00
      3   0.306840D+01 -0.226321D+01 -0.164178D+01  0.115544D+02  0.778087D+01
      4   0.275554D+01 -0.998773D+01 -0.267521D+01 -0.130176D+02 -0.562276D+01
      5  -0.106756D+02 -0.633569D+01 -0.108541D+02 -0.191364D+02 -0.298499D+01
      6  -0.152901D+01 -0.557811D+01  0.224382D+00 -0.528902D+00 -0.879918D+01
                36            37            38            39            40 
      1  -0.234788D+01 -0.177172D+02 -0.736838D+01  0.463788D+01 -0.119188D+02
      2   0.751823D+01  0.774946D+01  0.284119D+01 -0.145460D+01  0.726262D+01
      3  -0.517035D+01  0.996774D+01  0.452719D+01 -0.318328D+01  0.465619D+01
      4  -0.274356D+01 -0.117803D+02 -0.176425D+00  0.572894D+01 -0.444270D+00
      5  -0.483098D+01  0.110823D+02  0.787144D+01  0.113485D+01  0.918852D+01
      6  -0.277582D+01  0.563784D+01  0.919343D+00 -0.207760D+01  0.194670D+01
                41            42            43            44            45 
      1  -0.611148D+01  0.520756D+01  0.139399D+01  0.693401D+00 -0.121341D+02
      2   0.501903D+01 -0.437318D+01  0.413117D+01  0.298832D+01 -0.109331D+02
      3   0.109244D+01 -0.834388D+00 -0.552516D+01 -0.368172D+01  0.230672D+02
      4  -0.386018D+01 -0.410340D+01  0.489441D+01 -0.370537D+01 -0.359966D+01
      5  -0.264750D+01 -0.429826D+01  0.105390D+02 -0.275614D+01 -0.205098D+02
      6   0.157540D+01  0.588594D+01 -0.245676D+01  0.863227D+01 -0.151606D+01
                46            47            48            49            50 
      1   0.397573D-02  0.213476D+02 -0.169206D+02  0.257253D+02 -0.293796D+01
      2   0.900948D+00 -0.127743D+02  0.797380D+01 -0.168938D+02 -0.471835D+01
      3  -0.904924D+00 -0.857328D+01  0.894682D+01 -0.883150D+01  0.765632D+01
      4   0.213511D+02 -0.224279D+01  0.241777D+01 -0.625000D+01 -0.249598D+02
      5  -0.187960D+02  0.315948D+01 -0.130048D+02  0.420319D+01 -0.891316D+01
      6  -0.372368D-01 -0.316508D+00  0.419517D+00 -0.147342D+01 -0.212493D+01
                51            52            53            54            55 
      1   0.569583D+01 -0.228015D+02  0.367325D+01 -0.120629D+02  0.150340D+02
      2  -0.304528D+01  0.929134D+01 -0.195011D+01  0.139308D+02 -0.137427D+02
      3  -0.265054D+01  0.135102D+02 -0.172314D+01 -0.186797D+01 -0.129129D+01
      4  -0.711034D+01  0.341223D+01 -0.627556D+01  0.799723D+01  0.919913D+01
      5   0.103596D+02 -0.194748D+02  0.874498D+01  0.270886D+02 -0.219633D+01
      6   0.110307D+01  0.264519D+00 -0.643505D+00  0.145367D+01  0.510647D+01
                56            57            58            59            60 
      1  -0.426350D+01  0.442610D+00 -0.651776D+01 -0.176484D+02 -0.377476D+01
      2   0.921900D+01 -0.263580D+01  0.122760D+02  0.296711D+02  0.504751D+01
      3  -0.495550D+01  0.219319D+01 -0.575827D+01 -0.120227D+02 -0.127275D+01
      4  -0.451959D+01  0.379378D+01  0.206888D+01  0.110422D+02 -0.391937D+01
      5   0.216072D+01  0.104886D+01  0.774938D-01 -0.343903D+01  0.167138D+01
      6  -0.456793D+01  0.116667D+02 -0.491268D+01  0.563766D+01  0.931873D+00
                61            62            63            64            65 
      1   0.197536D+01 -0.536677D+00  0.264369D+01  0.392260D+02  0.909233D+01
      2  -0.281161D+01  0.484391D+01 -0.289171D+01 -0.259886D+02 -0.523550D+01
      3   0.836248D+00 -0.430724D+01  0.248021D+00 -0.132374D+02 -0.385683D+01
      4   0.446925D+01 -0.367899D+01  0.972261D+01  0.130972D+02  0.154068D+02
      5   0.168142D+01  0.335490D+01  0.345217D+00  0.275090D+02  0.660392D+01
      6   0.129789D+02 -0.278469D+01 -0.129335D+02  0.503406D+01  0.655846D+01
                66            67            68            69            70 
      1   0.124788D+02  0.587362D+01  0.500687D+00 -0.678378D+00  0.188398D+02
      2  -0.118046D+02 -0.113546D+01  0.571914D+01  0.160632D-01 -0.172187D+02
      3  -0.674227D+00 -0.473816D+01 -0.621983D+01  0.662315D+00 -0.162110D+01
      4   0.647537D+01  0.167585D+02  0.171782D+02  0.109391D+02  0.911222D+01
      5   0.278857D+02  0.848353D+01  0.125985D+02  0.114052D+02  0.282842D+02
      6   0.502493D+01  0.473959D+01  0.891139D+01  0.113707D+02  0.511996D+01
                71            72            73            74            75 
      1   0.357940D+01  0.103490D+01  0.975004D+00 -0.234257D+00  0.201924D+00
      2  -0.419615D+01 -0.148320D+02 -0.396924D+01  0.128909D+00  0.135358D+01
      3   0.616755D+00  0.137971D+02  0.299424D+01  0.105348D+00 -0.155551D+01
      4   0.110067D+02  0.743419D+01  0.512156D+00  0.139439D+01 -0.115602D+01
      5   0.942994D+01  0.344941D+02 -0.223416D+01 -0.305180D+00  0.601434D+01
      6   0.123892D+02  0.891087D+01 -0.121177D+01 -0.732872D+00  0.927592D+00
                76            77            78            79            80 
      1   0.802491D-01 -0.398836D+01 -0.434391D+00  0.459538D+00  0.152156D+01
      2   0.194721D+00  0.131096D+01 -0.148236D+01  0.187935D+01 -0.213085D+01
      3  -0.274970D+00  0.267740D+01  0.191675D+01 -0.233888D+01  0.609290D+00
      4   0.172382D+01 -0.307779D+00 -0.497453D+00 -0.592917D+00 -0.793926D-01
      5  -0.952685D-02 -0.958658D+00 -0.570596D+00  0.443797D+01  0.285470D+00
      6  -0.531585D+00 -0.254235D+00  0.542081D+01  0.248703D+00  0.408188D+01
                81            82            83            84            85 
      1  -0.148118D+02  0.108844D+01  0.222440D+01  0.277765D+01  0.272495D+01
      2  -0.135573D+02 -0.385162D+01 -0.869654D+00  0.939068D-01 -0.153289D+01
      3   0.283691D+02  0.276318D+01 -0.135475D+01 -0.287156D+01 -0.119206D+01
      4   0.807649D+00  0.210841D+01  0.665393D+00  0.991467D-01  0.104971D+01
      5  -0.312943D+01  0.868618D+00  0.210720D+00  0.434205D+01  0.134846D+00
      6  -0.701262D+01  0.532185D-01 -0.349774D+00 -0.347961D+00 -0.232747D+00
                86            87            88            89            90 
      1  -0.452375D+01 -0.135313D+01  0.435171D+01 -0.631381D+00 -0.160881D+02
      2   0.129387D+01 -0.137278D+01 -0.156915D+01 -0.231361D+01 -0.144251D+02
      3   0.322988D+01  0.272591D+01 -0.278255D+01  0.294499D+01  0.305133D+02
      4  -0.345984D+00  0.216329D+01  0.396999D+00  0.304477D+01  0.224735D+01
      5   0.233020D+01  0.193665D+01  0.306934D+01  0.167554D+01  0.167189D+02
      6   0.172121D+01  0.625455D+01  0.341784D-01  0.394800D+01  0.161431D+00
                91            92            93            94            95 
      1   0.356828D+02  0.787237D+01 -0.117964D+02  0.955952D+01  0.463214D+01
      2  -0.204509D+02 -0.396910D+01  0.876465D+01 -0.428809D+01 -0.987508D+00
      3  -0.152319D+02 -0.390328D+01  0.303172D+01 -0.527143D+01 -0.364464D+01
      4   0.107545D+02  0.745084D+01 -0.438610D+01  0.100915D+02  0.599363D+01
      5  -0.234905D+02 -0.599561D+01  0.149476D+02 -0.849764D+01 -0.541242D+01
      6  -0.529179D+01 -0.331906D+01  0.299129D+01 -0.405565D+01 -0.281727D+01
                96            97            98            99           100 
      1  -0.380876D+01 -0.144651D+01 -0.115324D-01  0.244957D+01 -0.209715D+01
      2   0.273478D+01  0.348550D+01  0.763768D+00 -0.411680D+01  0.807605D+01
      3   0.107398D+01 -0.203899D+01 -0.752236D+00  0.166722D+01 -0.597890D+01
      4  -0.423376D+01 -0.100266D+01 -0.119766D+01  0.154581D+01 -0.117463D+02
      5   0.583193D+01  0.759711D+01  0.195776D+01 -0.797999D+01  0.344790D+01
      6   0.318032D+01  0.129619D+01  0.156812D+01 -0.176442D+01 -0.688628D+01
               101           102           103           104           105 
      1   0.694003D+01 -0.199871D+01  0.432541D+01 -0.109786D+02  0.339224D+01
      2  -0.144282D+02  0.392812D+01 -0.960568D+01  0.201139D+02 -0.612939D+01
      3   0.748814D+01 -0.192941D+01  0.528027D+01 -0.913532D+01  0.273715D+01
      4   0.155275D+02 -0.618843D+01  0.124339D+02 -0.124658D+02  0.494332D+01
      5  -0.324346D+01  0.371505D+01 -0.151895D+01  0.273380D+01 -0.173770D+01
      6   0.811214D+01 -0.731426D+01  0.611010D+01 -0.909843D+01  0.765967D+01
               106           107           108           109           110 
      1  -0.325744D+01  0.676338D+01 -0.541592D+01 -0.156006D+01  0.191600D+01
      2   0.457197D+01 -0.950239D+01  0.469368D+01  0.202477D+01 -0.286320D+01
      3  -0.131453D+01  0.273901D+01  0.722242D+00 -0.464717D+00  0.947198D+00
      4  -0.801842D+01  0.768744D+01 -0.659568D+01 -0.158689D+01  0.439944D+01
      5   0.372507D+01 -0.317507D+01  0.336552D+01 -0.128113D+01  0.102196D+01
      6  -0.770874D+01  0.113326D+02 -0.939552D+01  0.184988D+01 -0.316019D+01
               111           112           113           114           115 
      1   0.151489D+01  0.670703D+00 -0.399759D+01 -0.245852D+01  0.127646D+01
      2  -0.135073D+01 -0.114081D+01  0.539239D+01  0.352636D+01 -0.118635D+01
      3  -0.164159D+00  0.470111D+00 -0.139481D+01 -0.106784D+01 -0.901059D-01
      4   0.219750D+01  0.355252D+01 -0.172704D+01 -0.214410D+01  0.469921D+01
      5   0.257710D+01  0.270340D+00 -0.116772D+01 -0.988488D+00  0.248183D+01
      6  -0.503294D+01 -0.238493D+01  0.406036D+01  0.668970D+01 -0.523763D+01
               116           117           118           119           120 
      1  -0.772679D+01 -0.949559D+01  0.511783D+02 -0.109339D+02  0.157880D+02
      2   0.849078D+01  0.211222D+01 -0.280175D+02  0.573503D+01 -0.944323D+01
      3  -0.763990D+00  0.738338D+01 -0.231608D+02  0.519886D+01 -0.634473D+01
      4  -0.354565D+01 -0.404306D+01 -0.107990D+02  0.102841D+02 -0.359048D+01
      5  -0.164507D+01 -0.361012D+01  0.186596D+02 -0.424892D+01  0.152782D+02
      6   0.109750D+02  0.234061D+02 -0.320010D+00  0.744087D+00 -0.747709D-01
               121           122           123           124           125 
      1  -0.212963D+02  0.750206D+01 -0.485217D+01  0.246676D+02 -0.360621D+01
      2   0.114722D+02 -0.185734D+01  0.297788D+01 -0.150420D+02  0.235540D+01
      3   0.982409D+01 -0.564472D+01  0.187428D+01 -0.962563D+01  0.125081D+01
      4   0.122214D+02 -0.754755D+01  0.566306D+01 -0.470218D+01  0.754722D+01
      5  -0.677712D+01  0.585262D+01 -0.790856D+01  0.185539D+02 -0.548273D+01
      6   0.142308D+01 -0.152658D+01  0.180919D+01 -0.682506D+00  0.218056D+01
               126           127           128           129           130 
      1   0.113884D+02  0.831595D+01 -0.244703D+01 -0.576737D+01 -0.589744D+01
      2  -0.104052D+02 -0.703369D+01  0.168691D+01  0.484494D+01  0.393191D+01
      3  -0.983191D+00 -0.128226D+01  0.760117D+00  0.922432D+00  0.196553D+01
      4  -0.477637D+01 -0.199857D+01  0.242592D+01  0.229257D-01  0.406086D+01
      5   0.129783D+02 -0.728976D+01  0.366616D+00  0.119631D+02  0.210940D+01
      6  -0.128235D+01  0.227016D-01 -0.145916D+00  0.665377D+00 -0.139434D+01
               131           132           133           134           135 
      1   0.149061D+00 -0.107172D+00 -0.129669D+02 -0.881628D+00  0.312248D+01
      2  -0.541206D-01 -0.130819D+01  0.114331D+02 -0.290420D+00 -0.171655D+02
      3  -0.949402D-01  0.141537D+01  0.153384D+01  0.117205D+01  0.140430D+02
      4   0.189484D+00 -0.449540D+01 -0.685507D+00 -0.740609D+01 -0.260490D+01
      5  -0.414700D+01 -0.550992D+01  0.201220D+02 -0.244100D+01 -0.400313D+02
      6   0.133582D+01  0.381051D+01  0.349385D+00  0.439745D+01 -0.172346D+01
               136           137           138           139           140 
      1   0.300934D+01  0.333087D+01  0.234363D+01  0.113037D+02 -0.857263D+00
      2   0.806765D+00  0.725624D+00 -0.103273D+01 -0.280058D+01  0.154887D+02
      3  -0.381611D+01 -0.405650D+01 -0.131089D+01 -0.850312D+01 -0.146314D+02
      4   0.549286D+01  0.945392D+01  0.540468D+00  0.155784D+02  0.401278D+02
      5   0.223944D+01  0.279716D+00  0.246292D+01  0.356028D+00  0.437014D+01
      6   0.241545D+00 -0.477182D-01  0.513733D+00  0.747164D+00  0.206771D+01
               141           142           143           144           145 
      1  -0.868755D+00  0.435402D+01 -0.806046D+00  0.687567D+00  0.132392D+02
      2   0.149784D+01 -0.197365D+01  0.123641D+01 -0.698162D+00  0.850780D+00
      3  -0.629084D+00 -0.238036D+01 -0.430369D+00  0.105954D-01 -0.140900D+02
      4   0.358805D+01  0.123213D+01  0.442856D+01  0.396465D+01 -0.258272D+02
      5   0.655712D+01  0.502106D+01  0.455951D+01 -0.340515D+00  0.895580D+01
      6   0.467482D+01  0.128989D+01  0.521824D+01  0.155256D+01 -0.898900D+01
               146           147           148           149           150 
      1  -0.231577D+01  0.310477D+01 -0.211040D+01 -0.261107D+01  0.145157D+01
      2  -0.946281D+01 -0.448777D-01 -0.669861D+01  0.140046D+02 -0.475717D+01
      3   0.117786D+02 -0.305989D+01  0.880901D+01 -0.113935D+02  0.330560D+01
      4   0.235187D+02 -0.987924D+01  0.180759D+02 -0.191237D+02  0.727988D+01
      5  -0.564612D+01  0.819634D+01 -0.394214D+01  0.558032D+01 -0.450253D+01
      6   0.700314D+01 -0.867192D+01  0.545741D+01 -0.868083D+01  0.794029D+01
               151           152           153           154           155 
      1   0.438301D+01  0.258509D+01 -0.795639D+00 -0.806776D+01 -0.134011D+02
      2  -0.611452D+00 -0.723200D+01  0.931451D+00  0.998780D+01  0.172941D+02
      3  -0.377156D+01  0.464691D+01 -0.135813D+00 -0.192004D+01 -0.389307D+01
      4  -0.119827D+02  0.111795D+02 -0.948872D+01  0.152530D+02  0.771734D+01
      5   0.838475D+01 -0.647778D+01  0.708897D+01 -0.124131D+01 -0.132028D+01
      6  -0.771084D+01  0.101500D+02 -0.762554D+01 -0.689680D+01 -0.491294D+01
               156           157           158           159           160 
      1   0.439495D+01 -0.851954D+01 -0.105169D+02  0.333869D+01  0.450508D+01
      2  -0.329370D+01  0.107547D+02  0.154041D+02 -0.428016D+01 -0.258261D+01
      3  -0.110125D+01 -0.223520D+01 -0.488717D+01  0.941472D+00 -0.192247D+01
      4  -0.469682D+01  0.913069D+01  0.547821D+01 -0.145760D+01 -0.553669D+01
      5   0.169276D+01 -0.610768D+00 -0.180337D+00 -0.229068D+00  0.269549D+01
      6   0.631504D+01 -0.349810D+01 -0.514879D+01  0.570385D+01  0.440188D+01
               161           162           163           164           165 
      1   0.533708D+01 -0.519596D+01 -0.451715D+00 -0.157665D+01 -0.138585D+01
      2  -0.665573D+01  0.305697D+01  0.900442D+00  0.129573D+00  0.100459D+01
      3   0.131865D+01  0.213899D+01 -0.448727D+00  0.144708D+01  0.381256D+00
      4  -0.597332D+00  0.155877D+01 -0.252457D+01  0.542842D+01  0.235548D+01
      5  -0.672796D+00 -0.175990D+01 -0.211137D+01  0.982614D+00  0.493486D+01
      6   0.705043D+01 -0.344883D+01  0.193263D+01 -0.640164D+00 -0.210013D+01
               166           167           168           169           170 
      1  -0.552214D+00 -0.445661D+01 -0.432732D+01 -0.229625D+01 -0.875642D+01
      2  -0.404824D+00  0.510449D+01  0.494888D+01  0.140864D+01  0.984061D+01
      3   0.957038D+00 -0.647882D+00 -0.621555D+00  0.887616D+00 -0.108419D+01
      4   0.407697D+01 -0.277116D+01 -0.262130D+01  0.506734D+01 -0.675832D+01
      5   0.848060D-02 -0.265037D+01 -0.270437D+01  0.579516D+01 -0.610372D+01
      6  -0.660805D+00  0.629905D+01  0.101669D+02 -0.305064D+01  0.145137D+02
               171 
      1  -0.112851D+02
      2  -0.260807D+00
      3   0.115459D+02
      4  -0.702977D+01
      5  -0.156888D+02
      6   0.279365D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x         -0.368312D-01     -0.936155D-01     -0.312268D+00
   y          0.177371D+00      0.450833D+00      0.150382D+01
   z          0.626202D+00      0.159165D+01      0.530916D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822268D+02      0.121848D+02      0.135574D+02
   yx         0.249082D+01      0.369102D+00      0.410681D+00
   yy         0.741808D+02      0.109925D+02      0.122308D+02
   zx         0.335195D+00      0.496708D-01      0.552662D-01
   zy         0.107135D+01      0.158758D+00      0.176643D+00
   zz         0.688386D+02      0.102008D+02      0.113500D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.788237D+02      0.116805D+02      0.129963D+02
   aniso      0.131455D+02      0.194797D+01      0.216741D+01
   xx         0.860997D+02      0.127587D+02      0.141959D+02
   yx         0.283503D+01      0.420108D+00      0.467433D+00
   yy         0.779922D+02      0.115573D+02      0.128592D+02
   zx         0.546460D+00      0.809770D-01      0.900991D-01
   zy         0.129799D+01      0.192342D+00      0.214009D+00
   zz         0.723793D+02      0.107255D+02      0.119337D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.99249768         -3.18249876         -0.90290510
     6          2.19035984         -0.57923332          0.33502886
     6         -0.00297730          1.15458809         -0.47444508
     6         -2.54686049         -0.15953132         -0.20984605
     8         -3.08485596         -0.72810269          2.23433408
     6          4.72544855          0.66250633         -0.26853606
     7          0.07337461          3.54723126          0.90648257
     8         -3.98833187         -0.62544017         -1.90605006
     1          0.19208718          1.57229809         -2.48495053
     1          2.04251315         -0.82123374          2.38570254
     1         -4.74195086         -1.51021113          2.24867232
     1         -1.22090478          4.77874195          0.21945608
     1         -0.32365726          3.26132185          2.75883173
     1          6.27998206         -0.48838600          0.44798414
     1          4.97063072          0.84937966         -2.31194813
     1          4.85303910          2.53884446          0.56403237
     1          3.58435338         -4.36532922         -0.33999176
     1          0.26222133         -4.17119614         -0.37366216
     1          2.02275779         -3.02151071         -2.96153797

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.651879D+00      0.165691D+01      0.552686D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822613D+02      0.121899D+02      0.135631D+02
   yx         0.250318D+01      0.370933D+00      0.412719D+00
   yy         0.732610D+02      0.108562D+02      0.120791D+02
   zx         0.276661D+00      0.409969D-01      0.456152D-01
   zy         0.218132D+01      0.323238D+00      0.359650D+00
   zz         0.697239D+02      0.103320D+02      0.114959D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.788237D+02      0.116805D+02      0.129963D+02
   aniso      0.131455D+02      0.194797D+01      0.216741D+01
   xx         0.861626D+02      0.127680D+02      0.142063D+02
   yx         0.279306D+01      0.413889D+00      0.460514D+00
   yy         0.769380D+02      0.114010D+02      0.126854D+02
   zx         0.558981D+00      0.828324D-01      0.921634D-01
   zy         0.243161D+01      0.360327D+00      0.400918D+00
   zz         0.733707D+02      0.108724D+02      0.120972D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-27\Freq\RwB97XD\Gen\C5H11N1O2\PIERPA\26-Sep-2021\0\\#
 P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA 
 Guess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.066458,-
 1.74225,0.058829\C,1.144781,-0.237615,0.319196\C,0.017403,0.519585,-0.
 407509\C,-1.339934,-0.122015,-0.159849\O,-1.699602,-0.061835,1.14839\C
 ,2.507306,0.318287,-0.090613\N,0.026381,1.937057,-0.04776\O,-2.052705,
 -0.609463,-0.9981\H,0.182303,0.443607,-1.483828\H,1.004355,-0.066187,1
 .392046\H,-2.578745,-0.464892,1.218746\H,-0.631756,2.459844,-0.613015\
 H,-0.239946,2.056537,0.923147\H,3.302392,-0.158123,0.485808\H,2.69871,
 0.120238,-1.148924\H,2.557607,1.394116,0.066259\H,1.885722,-2.256885,0
 .562881\H,0.1324,-2.176666,0.418486\H,1.144663,-1.956563,-1.009918\\Ve
 rsion=ES64L-G16RevA.03\State=1-A\HF=-402.5697913\RMSD=9.615e-09\RMSF=4
 .352e-06\ZeroPoint=0.1641271\Thermal=0.1736971\Dipole=-0.0368312,0.177
 3715,0.6262017\DipoleDeriv=0.046919,-0.0000612,-0.0017248,-0.0040004,-
 0.0241071,-0.0102375,-0.0176297,0.0199865,0.1100895,0.1403752,0.009194
 7,-0.0144542,-0.0520426,0.1063801,0.001961,0.0303428,0.0386261,0.09145
 89,0.107006,-0.1016362,-0.0371304,-0.0809375,0.4198702,0.0253008,-0.03
 96091,0.0397288,0.1469069,1.0848394,0.3603488,0.0513727,0.4325501,0.35
 13079,0.2591207,-0.0366454,0.2312226,1.5618308,-0.520355,-0.0086398,0.
 3358805,-0.0255882,-0.3453823,0.0046719,0.2391886,-0.0342333,-1.130759
 8,-0.0139036,-0.0443401,0.0211351,0.0019878,0.0055292,0.0153852,-0.030
 7798,0.0013361,0.1312125,-0.5029136,-0.1520285,0.0303729,-0.0932648,-0
 .6829546,-0.0294218,0.0254125,-0.0259138,-0.1920233,-0.8409928,-0.2835
 609,-0.3396325,-0.2449336,-0.4515133,-0.2398903,-0.1277117,-0.1575277,
 -0.8555415,0.0279709,-0.0089112,0.0238151,0.0044564,0.0046544,-0.02290
 9,0.0230953,-0.019968,-0.0860702,-0.0050086,0.0141506,0.0456143,0.0064
 55,-0.0125617,-0.0438076,0.0281347,-0.0327334,-0.1302257,0.2483422,-0.
 0434749,-0.0409356,-0.0592082,0.28421,-0.0178178,-0.0856048,-0.0346775
 ,0.3031214,0.0999605,0.1549635,-0.0916514,0.0606385,0.1694355,-0.02909
 83,-0.0632741,-0.0349371,0.1375327,0.2267891,0.0750762,0.0748498,0.036
 5839,0.1788343,0.0602663,0.0501517,0.0042445,0.0649069,-0.106091,0.047
 8527,-0.0558866,0.0889318,0.0229145,0.062772,-0.0839889,0.0583152,-0.0
 00217,0.0262907,-0.0138919,-0.0119026,0.004839,0.0527141,-0.054745,0.0
 680318,-0.0277225,-0.1421985,0.0824504,-0.0189856,0.0149289,-0.0656315
 ,-0.0981589,-0.0205437,0.0121204,-0.0277459,0.0551698,-0.0675102,0.109
 8241,-0.0764696,0.06517,-0.0121185,0.0240232,-0.0766051,0.048945,0.023
 9115,-0.0971194,-0.0966206,0.0596067,-0.0730012,0.0044863,0.0030721,0.
 0642019,0.0157976,0.0378145,0.0629508,0.0007402,0.0122117,-0.0030046,0
 .0264598,0.0118977,0.0211689,-0.0627431,-0.1269195\Polar=82.2267878,2.
 4908213,74.1808332,0.335195,1.071355,68.8385936\Quadrupole=0.0566184,0
 .241958,-0.2985764,-3.0237512,-3.6744762,-1.4948414\PG=C01 [X(C5H11N1O
 2)]\NImag=0\\0.57597332,-0.00290346,0.46614697,0.00016792,-0.02227199,
 0.56008492,-0.07948443,-0.00512487,-0.00119222,0.46342852,-0.00328943,
 -0.17511634,-0.02054169,0.00702954,0.47164007,-0.00125542,-0.01869441,
 -0.08411233,-0.02251660,0.02431955,0.57699598,0.00218892,0.00341374,0.
 00248714,-0.11648209,0.01438288,-0.02708537,0.44541286,0.02395569,-0.0
 2178730,0.01501783,0.02900162,-0.08553750,0.02282434,0.00200775,0.4391
 6486,0.00628517,-0.00106317,0.00336688,-0.02930164,0.01504411,-0.10365
 817,-0.03032987,0.01800481,0.63289242,-0.00027176,0.00189122,0.0005564
 4,-0.03212860,-0.00054972,-0.00187079,-0.15441170,-0.02688958,0.024641
 05,0.68064631,0.00334940,0.00260216,-0.00075874,0.01107372,0.01579969,
 -0.01034209,-0.01309378,-0.08512990,0.01548965,0.22988625,0.37087398,-
 0.00133285,-0.00059260,0.00027071,-0.01522939,-0.00950394,0.00737745,0
 .02216739,0.01735848,-0.08571826,0.14878451,0.15322840,0.70179263,-0.0
 0031576,-0.00004438,0.00000911,0.00030928,-0.00099169,0.00135451,-0.00
 885742,-0.00105249,0.03812320,-0.13250437,-0.02474739,0.05548335,0.515
 83932,-0.00091312,-0.00125267,-0.00001845,-0.00094336,-0.00164673,0.00
 161181,-0.00961504,0.00579555,0.01333769,-0.02538635,-0.07532590,0.000
 05391,0.21491437,0.14601863,0.00073984,0.00026674,0.00006459,-0.000416
 93,0.00220536,-0.00325076,0.00897265,-0.00080626,-0.01504709,0.0348551
 2,-0.00916626,-0.21354842,-0.06811236,0.02523240,0.37236913,-0.0044635
 0,-0.00743068,0.00066471,-0.15661440,-0.03418429,0.02738270,-0.0353646
 7,-0.00455683,0.00292783,0.00009281,0.00408462,-0.00219375,-0.00015158
 ,-0.00047176,0.00077311,0.48302551,-0.03419058,-0.01951399,0.01000200,
 -0.03035005,-0.09078838,0.00979887,0.01444434,0.00782083,-0.00494267,0
 .00048910,-0.00477275,0.00231948,0.00066140,0.00083237,-0.00083773,-0.
 03586539,0.56998945,-0.00457540,-0.00122020,0.00192454,0.02879295,0.01
 073882,-0.08755464,-0.01785407,-0.00557157,0.00367011,-0.00070407,0.00
 490451,-0.00378448,0.00013855,-0.00057300,0.00135046,0.03005032,0.0098
 4584,0.55225978,-0.00397645,0.00171671,-0.00239099,0.00125749,0.026711
 62,0.00499125,-0.05816782,0.01798905,-0.00004844,0.00780669,-0.0275217
 4,-0.00712834,-0.00178581,-0.00157511,0.00202783,-0.00169426,-0.000663
 16,0.00023767,0.30090471,0.00389720,-0.00032940,0.00245992,0.00564704,
 -0.02882339,-0.00525390,-0.01442956,-0.19339015,-0.01969687,-0.0022667
 3,-0.03829770,-0.00755298,-0.00291926,0.00181354,0.00167621,-0.0005805
 6,-0.00053864,-0.00025816,-0.17489038,0.45890494,-0.00381002,0.0015328
 2,-0.00192848,0.00043344,0.02023046,0.00458704,-0.01101869,-0.03413261
 ,-0.10874990,-0.00332825,-0.00171078,0.00029984,0.00030663,0.00128700,
 0.00077514,0.00048289,-0.00023514,0.00119909,0.05775140,-0.02200534,0.
 66714902,-0.00044141,-0.00034620,-0.00034386,-0.00079424,-0.00380580,0
 .00213576,-0.01313880,-0.01975097,-0.03103318,-0.34784677,-0.17300107,
 -0.24322219,0.03352434,-0.00056911,-0.01790048,-0.00093064,0.00132260,
 -0.00108349,-0.00846029,-0.00795638,-0.00008923,0.33709208,-0.00001915
 ,-0.00185202,0.00087326,-0.00268515,-0.00727727,0.00333827,-0.02574198
 ,0.01155351,-0.01940404,-0.17361173,-0.18784858,-0.17112924,-0.0017837
 4,0.02210495,-0.03224980,-0.00127777,0.00222988,-0.00195732,0.00103619
 ,0.00125579,0.00057522,0.20097209,0.16443563,0.00062042,-0.00021893,-0
 .00028323,0.00116782,-0.00026712,0.00056046,-0.00511463,-0.00699491,0.
 00176864,-0.25761815,-0.17632693,-0.38707392,-0.02775474,-0.03601439,-
 0.09989038,-0.00021552,0.00030588,0.00016426,-0.00211652,-0.00120981,0
 .00210639,0.30014754,0.22168864,0.47395646,0.00050595,-0.00112165,0.00
 006241,0.00191268,-0.00027338,-0.02471432,-0.05497908,0.00129681,0.037
 05127,-0.00639008,-0.00002918,0.03305956,-0.00645597,-0.00305425,0.001
 17163,0.00154168,-0.00032373,-0.00121613,0.00110538,0.00094452,-0.0009
 5572,0.00178880,0.00125997,-0.00186270,0.06394954,-0.00052136,0.001114
 80,0.00085732,-0.00179625,0.00072248,0.01639998,0.00149372,-0.04903669
 ,-0.00927065,-0.00179194,0.00127927,0.01398865,-0.00348402,-0.00069843
 ,0.00072935,-0.00094594,0.00032940,-0.00051143,0.00427164,-0.00958782,
 -0.03855411,0.00068792,-0.00021913,-0.00040259,-0.00134493,0.06268306,
 0.00029196,-0.00060279,0.00035833,-0.00015984,0.00075584,-0.01739043,0
 .04424869,-0.01340864,-0.29899462,-0.00093609,-0.00101937,-0.01091291,
 0.00170867,0.00078182,0.00084994,0.00116309,-0.00023811,0.00086421,0.0
 0053962,-0.00453157,-0.00695463,-0.00072496,-0.00006683,0.00304351,-0.
 04354643,0.01765796,0.32547654,0.00013117,-0.00071785,-0.00165454,-0.0
 5138494,0.00599544,0.03068034,-0.00011948,-0.00194479,-0.02656408,0.00
 196230,-0.00002249,-0.00219226,-0.00087239,0.00005052,0.00078148,-0.00
 666397,0.00382667,0.03056321,0.00108910,-0.00159653,0.00080087,-0.0002
 7210,-0.00010869,0.00061868,-0.00317237,0.00245957,-0.00203987,0.06123
 787,0.00329573,-0.00888355,-0.03409597,0.00515276,-0.05329421,-0.03695
 288,-0.00006581,0.00062310,0.01731108,-0.00058265,-0.00016065,-0.00080
 756,0.00021867,-0.00019471,0.00026619,-0.00251903,0.00160401,0.0124634
 8,-0.00088094,0.00144106,0.00025777,0.00010685,0.00031894,0.00013601,0
 .00235216,-0.00135656,0.00161237,-0.00590508,0.06332333,0.00041359,-0.
 00218824,-0.00530191,0.02934214,-0.03714524,-0.28485630,-0.00067055,-0
 .00165585,-0.02066508,0.00127985,0.00063076,-0.00284688,0.00051372,-0.
 00006551,0.00151375,0.00238481,-0.00064236,-0.00864900,0.00074131,-0.0
 0068252,0.00201979,-0.00024595,-0.00015582,0.00102923,-0.00253436,0.00
 149915,-0.00005086,-0.03235955,0.03998323,0.31242686,-0.00020791,-0.00
 030733,0.00010306,0.00052297,-0.00007513,-0.00022898,0.00325990,0.0008
 4008,0.00290548,-0.01992182,-0.00901953,0.01408829,-0.39726916,-0.1743
 6053,0.03729337,-0.00000588,0.00000907,0.00009443,0.00054508,0.0000628
 6,-0.00078920,-0.00012313,0.00135636,-0.00795867,-0.00051500,-0.000328
 73,0.00010660,-0.00001549,-0.00001882,0.00003070,0.41352026,0.00025092
 ,0.00015084,-0.00005447,-0.00044953,-0.00000940,0.00009445,-0.00105810
 ,0.00321867,-0.00098510,-0.00154032,0.00434088,0.00434050,-0.18082909,
 -0.09879824,0.01272340,-0.00009167,-0.00007743,-0.00027967,0.00084790,
 0.00081898,0.00044368,0.00150739,-0.00587181,-0.00188338,-0.00000330,0
 .00027399,-0.00013818,-0.00012756,-0.00000824,-0.00013155,0.18173330,0
 .09596304,-0.00000038,0.00004921,-0.00004125,-0.00040001,-0.00008540,-
 0.00031739,0.00034279,-0.00232141,-0.00710982,0.05478717,0.02398647,-0
 .00672454,-0.00274049,-0.00624915,-0.04498904,0.00006460,0.00006406,0.
 00016333,-0.00085837,-0.00060692,0.00041840,-0.00772109,-0.00170245,0.
 00444465,0.00161952,0.00068360,-0.00029808,0.00016404,-0.00004916,0.00
 036783,-0.04520915,-0.01438303,0.05366097,-0.00036611,-0.00006025,-0.0
 0046787,0.00004835,0.00141239,0.00103915,-0.00415094,-0.00877147,0.001
 18334,0.00204917,-0.00159748,0.00082757,-0.00050080,0.00012965,0.00008
 175,0.00026191,0.00025840,-0.00016905,-0.18854425,0.15810995,-0.163402
 02,-0.00007908,0.00052676,-0.00025088,0.00007177,0.00035871,0.00018869
 ,0.00006677,-0.00024440,0.00004782,0.00001044,-0.00011599,0.00002934,0
 .18734652,0.00184660,-0.00026339,0.00109572,-0.00224710,-0.00619990,-0
 .00328666,0.02414534,-0.02080254,0.02121872,0.00104666,-0.00049100,0.0
 0178029,-0.00021183,0.00020807,-0.00028968,-0.00063370,0.00019393,-0.0
 0005644,0.12236446,-0.13587136,0.09038146,0.00015365,0.00012821,-0.000
 46950,0.00014820,0.00140306,-0.00047531,-0.00036144,0.00018394,-0.0000
 7630,-0.00008100,-0.00015666,0.00018853,-0.14279357,0.15910303,0.00050
 333,-0.00048426,0.00073698,-0.00026788,-0.00216729,-0.00051181,0.00829
 790,-0.00697647,0.00755407,0.00064592,0.00040972,0.00076566,0.00032342
 ,-0.00034743,-0.00036298,-0.00007072,-0.00016660,0.00014167,-0.1314816
 8,0.09636357,-0.17288769,-0.00060008,0.00001926,-0.00068401,0.00042993
 ,-0.00004087,0.00042673,0.00010640,-0.00013504,0.00047149,0.00003923,0
 .00018483,0.00002797,0.15030429,-0.10711280,0.18534824,-0.00003084,0.0
 0023645,-0.00052002,0.00041969,0.00017764,0.00208184,-0.00342695,-0.00
 713055,-0.00142073,0.00077173,-0.00035515,-0.00406140,-0.00017276,0.00
 029464,0.00050800,-0.00048734,0.00033264,-0.00024928,-0.05056305,0.035
 34381,0.12394069,0.00025474,0.00007302,0.00107938,0.00061647,0.0006535
 3,0.00016947,0.00010091,0.00055535,-0.00071401,-0.00009640,-0.00001889
 ,0.00008187,0.00327264,-0.00363065,-0.02831661,0.04980591,-0.00013366,
 -0.00014372,0.00035624,-0.00057934,0.00149679,-0.00146702,0.01002647,-
 0.00773628,-0.04088459,0.00007489,0.00011409,-0.00438774,0.00009742,0.
 00005752,0.00089591,0.00008715,0.00014102,0.00008195,0.02434570,-0.056
 43322,-0.02040694,0.00016924,0.00014785,0.00153640,-0.00006641,-0.0067
 0703,-0.00101697,0.00046498,-0.00020392,0.00120972,-0.00021253,0.00032
 755,0.00052746,-0.00799585,0.00287642,0.02065314,-0.02595035,0.0660136
 6,-0.00008575,0.00014990,0.00004542,0.00009207,0.00009529,0.00153941,0
 .00451641,-0.00095677,-0.01021109,-0.00068061,0.00017968,-0.00059257,0
 .00069250,0.00132354,0.00008004,-0.00002955,-0.00007998,-0.00017912,0.
 07730336,-0.03851553,-0.38883801,0.00052682,0.00010537,0.00052716,-0.0
 0016938,-0.00184324,0.00177021,0.00041806,-0.00020492,0.00003440,-0.00
 030473,0.00002201,0.00018809,0.01038735,-0.00275151,-0.02080883,-0.092
 63917,0.04243926,0.41652287,0.00091664,0.00150713,-0.00051861,-0.02238
 125,0.01312004,-0.01641947,-0.00505059,-0.00344584,0.00273727,0.000421
 82,0.00249030,-0.00138555,-0.00036994,-0.00037030,0.00059507,-0.180551
 19,0.08231082,-0.10005247,0.00061124,-0.00007068,-0.00001106,-0.000803
 56,-0.00105691,-0.00006806,0.00025917,-0.00022587,0.00010653,0.0010795
 2,0.00048547,0.00037118,0.00001563,-0.00001860,-0.00001477,-0.00004855
 ,-0.00003466,0.00007773,-0.00005732,0.00001002,-0.00006212,0.19963466,
 -0.00057649,0.00099416,-0.00061556,-0.00964664,0.00397497,-0.00734911,
 -0.00281475,-0.00177053,0.00036634,-0.00043690,0.00078985,-0.00038436,
 0.00003236,-0.00004661,0.00007788,0.08398457,-0.09800806,0.06206878,0.
 00146571,0.00039534,0.00011912,-0.00007226,-0.00034491,-0.00001432,0.0
 0001635,-0.00015548,0.00013108,0.00074695,0.00031906,-0.00017152,-0.00
 001810,-0.00003143,0.00003298,0.00006782,0.00004949,0.00000780,0.00005
 397,0.00004542,0.00000519,-0.09013228,0.10337945,-0.00011617,-0.000222
 27,-0.00006612,0.00796285,-0.00425775,0.00436749,0.00211933,0.00065459
 ,-0.00015012,0.00006620,-0.00049651,0.00068570,-0.00011434,-0.00000737
 ,-0.00008248,-0.10146871,0.06159423,-0.12179863,-0.00009235,0.00006398
 ,0.00010876,0.00013983,0.00028918,0.00002887,0.00029130,-0.00003176,0.
 00042748,-0.00039094,-0.00054939,0.00076095,-0.00002490,0.00000497,0.0
 0002378,0.00007930,0.00003388,-0.00003874,-0.00003735,-0.00000263,0.00
 000268,0.10956354,-0.06914766,0.12916933,0.00122557,0.00150105,0.00023
 943,-0.00721871,0.00530108,0.03082727,0.00184716,-0.00008986,0.0020999
 8,0.00011773,-0.00028112,0.00044701,-0.00005623,0.00007074,-0.00037162
 ,-0.05326193,0.00782634,0.03845119,-0.00005197,0.00019332,-0.00046185,
 0.00000874,-0.00002341,-0.00024114,-0.00023266,0.00014036,-0.00084957,
 -0.00514481,-0.00236230,0.00143309,0.00000207,0.00007766,-0.00009861,-
 0.00008765,0.00004036,0.00003151,0.00014788,-0.00017904,-0.00001979,0.
 00426754,-0.00559445,-0.02276883,0.05884571,0.00028337,0.00097353,0.00
 126746,-0.00208408,0.00111632,0.01238315,0.00058016,0.00016191,-0.0004
 7375,0.00016018,0.00001934,0.00012832,-0.00008134,-0.00002041,-0.00003
 348,0.00804238,-0.05676505,-0.04760700,0.00028141,-0.00029464,0.000664
 94,-0.00001337,-0.00005160,-0.00002320,0.00023422,0.00017726,-0.000133
 28,-0.00248534,-0.00026638,0.00076218,-0.00001057,0.00002201,-0.000023
 00,0.00023016,0.00010159,-0.00005880,-0.00030060,-0.00010481,0.0000240
 4,-0.00318158,0.00238138,0.01445184,-0.00641275,0.05639429,-0.00067143
 ,-0.00055914,0.00061920,0.00254252,-0.00133479,-0.01083188,-0.00077205
 ,0.00008294,0.00040018,-0.00015786,-0.00023061,0.00002407,-0.00008571,
 -0.00000012,0.00017902,0.03973683,-0.04635046,-0.28574745,0.00028520,-
 0.00011893,0.00018871,0.00018624,0.00022152,0.00018962,0.00059284,-0.0
 0030739,0.00057094,0.00187871,0.00087584,0.00113057,-0.00004939,-0.000
 01504,0.00006269,0.00017029,0.00005637,-0.00007009,-0.00023222,0.00008
 438,-0.00000727,0.00260817,-0.00348268,-0.01627060,-0.04633848,0.05098
 213,0.31288213,-0.00587726,-0.00090239,0.00199852,-0.00041729,-0.03008
 928,-0.00605222,0.00070897,-0.00118265,-0.00056162,-0.00038535,-0.0004
 6285,0.00021094,0.00022210,0.00024013,-0.00025419,-0.04664380,-0.00806
 699,-0.00094871,-0.00052056,0.00073593,0.00047336,0.00044834,0.0002787
 8,0.00017527,-0.00008971,0.00015906,-0.00007737,0.00115663,0.00061519,
 0.00010238,0.00000636,-0.00006132,0.00002096,0.00048032,0.00030205,-0.
 00005138,-0.00041633,-0.00002932,0.00012138,0.00125501,0.02281721,0.00
 486969,-0.00061007,0.00469941,0.00012456,0.05072456,-0.00271123,0.0001
 3066,0.00164318,-0.00111607,-0.01073381,-0.00207873,0.00038126,-0.0010
 1752,0.00027333,-0.00001251,-0.00020298,-0.00020341,-0.00001508,0.0001
 0367,0.00001632,-0.01208650,-0.30924390,-0.04003291,0.00274694,-0.0000
 2510,0.00015699,-0.00006962,0.00001152,0.00004142,-0.00006235,-0.00003
 132,-0.00002386,-0.00008106,0.00041994,0.00035093,0.00002772,-0.000038
 44,-0.00001287,0.00016210,0.00015783,0.00002452,0.00002067,-0.00003437
 ,-0.00006722,-0.00027201,-0.01194817,-0.00197614,0.00015496,-0.0039327
 0,-0.00084351,0.01273723,0.33656798,0.00155037,0.00040439,-0.00014044,
 -0.00054133,0.00999816,0.00046252,-0.00036154,-0.00075526,0.00023474,-
 0.00009179,0.00004457,0.00006739,0.00002895,0.00001056,-0.00007256,-0.
 00169076,-0.03983802,-0.05475312,0.00037319,0.00023142,-0.00046067,0.0
 0003502,-0.00001858,-0.00002030,-0.00001925,-0.00011083,-0.00004210,-0
 .00062154,0.00016892,0.00023719,-0.00001302,0.00001253,0.00000084,-0.0
 0016573,-0.00009697,-0.00002447,0.00044776,0.00008159,-0.00002033,0.00
 184512,0.01815362,0.00261115,-0.00130564,-0.03188559,-0.00399396,-0.00
 010161,0.04309475,0.05497658,-0.19654492,0.09211717,-0.09291224,0.0005
 9519,-0.00130531,0.00148697,0.00029729,-0.00053311,0.00069558,0.000313
 90,-0.00081290,-0.00026730,-0.00009211,0.00022983,0.00014137,0.0007837
 0,-0.00093832,0.00031285,0.00026273,-0.00010099,-0.00023130,0.00001838
 ,0.00049991,0.00019644,-0.00004178,-0.00002207,-0.00009257,-0.00000820
 ,0.00039967,0.00027438,0.00012957,-0.00004405,-0.00011952,0.00011437,-
 0.00002256,0.00003480,-0.00004370,-0.00006061,-0.00003467,0.00040476,-
 0.00006028,-0.00012086,-0.00001097,0.00004507,0.00003633,0.00014169,0.
 00008582,0.00018412,0.21182057,0.09020094,-0.10074962,0.05613207,0.025
 42847,-0.01674804,0.01683843,-0.00250265,-0.00473346,-0.00300799,-0.00
 135528,-0.00100861,-0.00017675,0.00024496,0.00028439,-0.00016294,0.001
 53087,0.00158844,0.00054353,0.00143766,-0.00150099,0.00133684,0.000352
 11,0.00070362,0.00017796,-0.00021229,0.00010410,0.00004415,0.00005810,
 0.00132376,-0.00035402,0.00006140,-0.00005275,-0.00002652,0.00022461,-
 0.00066822,-0.00031801,0.00005049,-0.00000280,0.00003074,-0.00102846,-
 0.00012896,-0.00025191,-0.00015143,-0.00007814,0.00003435,0.00004818,0
 .00033647,-0.00036734,-0.09993760,0.11284543,-0.09270010,0.05718392,-0
 .10449458,0.00553093,-0.00350664,0.00240769,-0.00010674,-0.00118188,0.
 00014396,-0.00024075,0.00006757,-0.00077865,0.00002415,-0.00016559,0.0
 0027295,-0.00002915,0.00004026,0.00001303,0.00015228,-0.00026711,0.000
 55741,-0.00002958,0.00011509,0.00030055,0.00018483,-0.00029218,0.00038
 179,0.00041164,0.00050395,0.00051515,-0.00002930,0.00002235,-0.0000058
 4,0.00003070,-0.00014360,-0.00003062,-0.00003867,0.00009774,0.00001838
 ,0.00019173,0.00020138,0.00023906,-0.00014216,0.00009405,-0.00014703,0
 .00024597,-0.00006634,-0.00003441,0.10240520,-0.06128340,0.10936448,-0
 .24000579,-0.08655921,0.07567577,-0.00056925,0.00020163,-0.00071022,0.
 00020369,0.00015519,-0.00025815,-0.00057043,-0.00004029,0.00011341,-0.
 00036558,0.00088382,-0.00020835,0.00082290,-0.00113476,-0.00063256,0.0
 0030128,-0.00010076,0.00005598,-0.00018217,0.00085544,-0.00007929,-0.0
 0003483,0.00005570,-0.00003848,0.00023435,-0.00039303,-0.00033720,0.00
 005058,-0.00000426,0.00000543,0.00006695,-0.00005808,-0.00000102,-0.00
 009316,-0.00002829,-0.00000226,0.00039708,0.00021275,0.00012012,0.0000
 7233,0.00021026,-0.00006032,-0.00015754,0.00001125,0.00025912,-0.02053
 574,-0.00909815,0.00872565,0.26171279,-0.08490594,-0.08677444,0.033266
 97,-0.02889578,-0.01088061,0.01216492,-0.00127411,0.00112126,0.0002502
 3,0.00079391,-0.00226302,0.00178128,0.00009703,0.00063530,-0.00068917,
 0.00167427,-0.00663398,-0.00175337,0.00046119,0.00037980,-0.00033418,0
 .00026697,0.00042087,-0.00024889,0.00004522,-0.00002731,-0.00006376,0.
 00019178,0.00134927,-0.00031240,0.00029808,-0.00004675,-0.00013148,0.0
 0005600,0.00002479,0.00003506,-0.00015609,-0.00011244,-0.00004514,-0.0
 0001218,0.00017356,-0.00025102,0.00027856,0.00010499,0.00010986,-0.002
 05349,-0.00071582,0.00047892,0.01274916,0.00602243,-0.00629433,0.09468
 448,0.09540311,0.07554616,0.03413674,-0.07669043,-0.00668719,-0.002448
 03,0.00080226,0.00047538,0.00036677,-0.00014095,0.00035317,0.00147800,
 0.00190200,0.00005578,-0.00005893,-0.00078167,-0.00005625,-0.00121432,
 0.00014023,-0.00027950,-0.00002637,-0.00003427,-0.00033694,-0.00103390
 ,-0.00072795,0.00006462,0.00001142,0.00003592,-0.00043847,0.00041293,0
 .00042451,0.00000218,-0.00000352,0.00013748,0.00003004,0.00006626,-0.0
 0001945,0.00004027,0.00000042,0.00000854,0.00036991,0.00000716,0.00001
 338,-0.00030981,-0.00018486,0.00041230,-0.00020926,-0.00028490,0.00061
 989,-0.01339611,-0.00691723,0.00538234,-0.08308730,-0.03664799,0.07834
 615,-0.04895543,0.00313481,0.01803583,-0.00101898,0.00023178,-0.001126
 40,0.00023075,0.00010193,0.00086756,0.00024842,0.00010069,0.00183099,-
 0.00012516,0.00044522,-0.00067729,0.00030465,0.00005158,-0.00115594,-0
 .00011925,-0.00002279,-0.00014791,-0.00006323,-0.00054997,-0.00072526,
 0.00016005,0.00018090,-0.00005815,0.00059513,-0.00020979,-0.00007336,0
 .00009194,-0.00005448,0.00004667,-0.00001182,0.00002729,-0.00000511,-0
 .00000212,-0.00004046,-0.00002991,-0.00000068,-0.00004553,-0.00007773,
 0.00014028,-0.00019698,0.00020578,-0.00002608,0.00009847,0.00018854,0.
 00239527,-0.00535192,-0.02458663,-0.00134746,0.00570094,0.02786331,0.0
 4750372,0.00308457,-0.05544666,-0.04461509,0.00258506,-0.00769474,-0.0
 3434896,-0.00027989,0.00148219,-0.00156714,0.00008151,-0.00031817,-0.0
 0024072,-0.00010590,0.00012970,0.00014557,0.00124028,0.00161287,-0.000
 82585,-0.00014486,0.00008296,0.00039279,0.00004596,0.00015454,0.000187
 64,0.00019404,-0.00026765,0.00073545,-0.00044315,-0.00653818,-0.000854
 63,0.00004339,-0.00002481,0.00005906,0.00004246,0.00002271,0.00010968,
 -0.00024992,0.00025829,0.00008930,-0.00007442,-0.00006854,0.00010174,-
 0.00049006,0.00006111,0.00079528,0.00021514,0.00019605,0.00039314,-0.0
 0228883,0.00246294,0.01487478,0.00014632,0.00181898,0.01234034,-0.0036
 0168,0.06207639,0.01842874,-0.04560572,-0.29441280,0.00084830,-0.00212
 969,-0.00661659,-0.00031416,0.00045188,0.00041410,-0.00034107,-0.00036
 804,-0.00120483,0.00004508,-0.00013879,0.00057036,0.00012351,0.0005747
 7,0.00057573,-0.00000692,-0.00006908,0.00044406,0.00015982,0.00049217,
 0.00056000,0.00049038,-0.00046238,0.00043803,-0.00016216,-0.00119684,0
 .00143830,-0.00005600,0.00002521,-0.00001006,0.00005592,-0.00006246,-0
 .00003413,-0.00011983,0.00020168,-0.00007996,0.00006585,-0.00000614,-0
 .00003193,-0.00062199,-0.00033515,0.00040882,-0.00008669,-0.00001156,0
 .00035205,0.00140652,-0.00227197,-0.01410566,0.00045968,-0.00131552,-0
 .00983032,-0.02037498,0.05222763,0.32112485\\-0.00000236,-0.00000836,0
 .00000351,0.00000294,0.00000968,-0.00000367,-0.00000292,0.00001378,0.0
 0000504,0.00000455,-0.00000360,0.00001284,0.00000295,0.00000325,-0.000
 00915,-0.00000280,-0.00001054,0.00000297,0.00000662,-0.00000098,0.0000
 0147,-0.00000503,-0.00000355,-0.00000083,-0.00000288,0.00000273,0.0000
 0004,0.00000417,-0.00000085,-0.00000096,-0.00000210,-0.00000111,0.0000
 0227,0.00000218,0.00000143,-0.00000424,-0.00000375,0.00000024,-0.00000
 468,-0.00000103,-0.00000060,0.00000049,0.00000073,-0.00000136,-0.00000
 100,0.00000023,0.00000117,-0.00000304,-0.00000081,-0.00000060,0.000001
 40,0.00000103,-0.00000191,-0.00000158,-0.00000174,0.00000119,-0.000000
 89\\\@


 LET US PLACE AT THE END OF EVERY CHAPTER.....THE
 TWO LETTERS USED BY THE ROMAN JUDGES WHEN THEY DID
 NOT UNDERSTAND A PLEADING.
 N. L. -NON LIQUET- IT IS NOT CLEAR.
                                              -- VOLTAIRE
 Job cpu time:       0 days  1 hours 32 minutes 18.9 seconds.
 Elapsed time:       0 days  0 hours 11 minutes 34.8 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 19:59:30 2021.
